(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane

C56H82N8O12 — CID 160768830

IUPAC(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane
SMILESC.CCOC[C@@H](NC(C)=O)C(=O)NCc1ccccc1.COC[C@@H](NC(C)=O)C(=O)NCc1ccc(C)cc1.COC[C@@H](NC(C)=O)C(=O)NCc1cccc(C)c1.COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/3C14H20N2O3.C13H18N2O3.CH4/c1-10-4-6-12(7-5-10)8-15-14(18)13(9-19-3)16-11(2)17;1-10-5-4-6-12(7-10)8-15-14(18)13(9-19-3)16-11(2)17;1-3-19-10-13(16-11(2)17)14(18)15-9-12-7-5-4-6-8-12;1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11;/h2*4-7,13H,8-9H2,1-3H3,(H,15,18)(H,16,17);4-8,13H,3,9-10H2,1-2H3,(H,15,18)(H,16,17);3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16);1H4/t3*13-;12-;/m1111./s1
InChIKeyRZARAOHVNKBJGG-KTFOXDFOSA-N
MW1059.32 g/mol
LogP3.46
Rot. Bonds25

About (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane

(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane (PubChem CID 160768830) has the molecular formula C56H82N8O12 and a molecular weight of 1059.32 g/mol. Its IUPAC name is (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane.

Molecular Properties

Compound Name(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane
PubChem CID160768830
Molecular FormulaC56H82N8O12
Molecular Weight1059.32 g/mol
Exact Mass1058.61
IUPAC Name(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane
SMILESC.CCOC[C@@H](NC(C)=O)C(=O)NCc1ccccc1.COC[C@@H](NC(C)=O)C(=O)NCc1ccc(C)cc1.COC[C@@H](NC(C)=O)C(=O)NCc1cccc(C)c1.COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/3C14H20N2O3.C13H18N2O3.CH4/c1-10-4-6-12(7-5-10)8-15-14(18)13(9-19-3)16-11(2)17;1-10-5-4-6-12(7-10)8-15-14(18)13(9-19-3)16-11(2)17;1-3-19-10-13(16-11(2)17)14(18)15-9-12-7-5-4-6-8-12;1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11;/h2*4-7,13H,8-9H2,1-3H3,(H,15,18)(H,16,17);4-8,13H,3,9-10H2,1-2H3,(H,15,18)(H,16,17);3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16);1H4/t3*13-;12-;/m1111./s1
InChIKeyRZARAOHVNKBJGG-KTFOXDFOSA-N
XLogP3.46
TPSA269.72 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001059.32
LogP ≤ 53.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane with MolForge

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Related Compounds

2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide
CID 44543285
(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide
CID 44543282
(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide
CID 46179903
(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide
CID 10979254
(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
CID 44538364
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
CID 44538367

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane?
The IUPAC name of (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane (CID 160768830) is (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane.
What is the SMILES notation for (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane?
The canonical SMILES for (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane is C.CCOC[C@@H](NC(C)=O)C(=O)NCc1ccccc1.COC[C@@H](NC(C)=O)C(=O)NCc1ccc(C)cc1.COC[C@@H](NC(C)=O)C(=O)NCc1cccc(C)c1.COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane?
The InChIKey is RZARAOHVNKBJGG-KTFOXDFOSA-N. The full InChI is InChI=1S/3C14H20N2O3.C13H18N2O3.CH4/c1-10-4-6-12(7-5-10)8-15-14(18)13(9-19-3)16-11(2)17;1-10-5-4-6-12(7-10)8-15-14(18)13(9-19-3)16-11(2)17;1-3-19-10-13(16-11(2)17)14(18)15-9-12-7-5-4-6-8-12;1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11;/h2*4-7,13H,8-9H2,1-3H3,(H,15,18)(H,16,17);4-8,13H,3,9-10H2,1-2H3,(H,15,18)(H,16,17);3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16);1H4/t3*13-;12-;/m1111./s1.
What are the key properties of (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane?
(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane has a molecular weight of 1059.32 g/mol, XLogP of 3.46, 25 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane is sourced from PubChem (CID 160768830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).