(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide

C16H24N2O3 — CID 45486407

IUPAC(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)14-7-5-13(6-8-14)9-17-16(20)15(10-21-4)18-12(3)19/h5-8,11,15H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t15-/m1/s1
InChIKeyDXOASSCPOHEDNW-OAHLLOKOSA-N
MW292.38 g/mol
LogP1.58
Rot. Bonds7

About (2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide

(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 45486407) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID45486407
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCOC[C@@H](NC(C)=O)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)14-7-5-13(6-8-14)9-17-16(20)15(10-21-4)18-12(3)19/h5-8,11,15H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t15-/m1/s1
InChIKeyDXOASSCPOHEDNW-OAHLLOKOSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412
(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide
CID 46179903
2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 112685779
(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide
CID 45486472
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
CID 44538367
[1-oxo-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl] dihydrogen phosphate
CID 168729163
(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
CID 44538364
2-acetamido-N-[[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide
CID 75044765
N-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]acetamide
CID 82175838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 45486407) is (2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide is COC[C@@H](NC(C)=O)C(=O)NCc1ccc(C(C)C)cc1.
What is the InChIKey of (2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is DXOASSCPOHEDNW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)14-7-5-13(6-8-14)9-17-16(20)15(10-21-4)18-12(3)19/h5-8,11,15H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide?
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 45486407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).