N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide

C13H18N2O3 — CID 86783260

IUPACN-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)[C@H](C)C(N)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-4-18-11-7-5-10(6-8-11)13(17)15(3)9(2)12(14)16/h5-9H,4H2,1-3H3,(H2,14,16)/t9-/m1/s1
InChIKeyAOIYQRBJERXOBX-SECBINFHSA-N
MW250.30 g/mol
LogP1.03
Rot. Bonds5

About N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide

N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide (PubChem CID 86783260) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide
PubChem CID86783260
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)[C@H](C)C(N)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-4-18-11-7-5-10(6-8-11)13(17)15(3)9(2)12(14)16/h5-9H,4H2,1-3H3,(H2,14,16)/t9-/m1/s1
InChIKeyAOIYQRBJERXOBX-SECBINFHSA-N
XLogP1.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloropropan-2-yl)-4-ethoxy-N-methylbenzamide
CID 104555583
4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 97029759
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 120520387
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide
CID 119583468
N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride
CID 119584302
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
4-(4-ethoxyphenyl)benzamide
CID 163572533
4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55636040
2-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 152610342

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide?
The IUPAC name of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide (CID 86783260) is N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide is CCOc1ccc(C(=O)N(C)[C@H](C)C(N)=O)cc1.
What is the InChIKey of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide?
The InChIKey is AOIYQRBJERXOBX-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-18-11-7-5-10(6-8-11)13(17)15(3)9(2)12(14)16/h5-9H,4H2,1-3H3,(H2,14,16)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide?
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide is sourced from PubChem (CID 86783260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).