2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide

C13H18N2O3 — CID 143126670

IUPAC2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
SMILESCC(=O)CNC(=O)C(N)COCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(16)7-15-13(17)12(14)9-18-8-11-5-3-2-4-6-11/h2-6,12H,7-9,14H2,1H3,(H,15,17)
InChIKeyVVIAFXQGJDLJIX-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.24
Rot. Bonds7

About 2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide

2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide (PubChem CID 143126670) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
PubChem CID143126670
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
SMILESCC(=O)CNC(=O)C(N)COCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(16)7-15-13(17)12(14)9-18-8-11-5-3-2-4-6-11/h2-6,12H,7-9,14H2,1H3,(H,15,17)
InChIKeyVVIAFXQGJDLJIX-UHFFFAOYSA-N
XLogP0.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide
CID 131854794
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
CID 119335271
3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 120501631
2-amino-N-(1-phenylmethoxypropan-2-yl)pentanamide;hydrochloride
CID 119335294
benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
CID 159493604
2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
CID 142227491
2-amino-N-(2-methyl-3-phenylmethoxypropyl)pentanamide;hydrochloride
CID 119304384
methyl (2S)-2-[[(2S)-2-amino-3-phenylmethoxypropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 10672089
benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate
CID 18643839

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide?
The IUPAC name of 2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide (CID 143126670) is 2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide.
What is the SMILES notation for 2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide?
The canonical SMILES for 2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide is CC(=O)CNC(=O)C(N)COCc1ccccc1.
What is the InChIKey of 2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide?
The InChIKey is VVIAFXQGJDLJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(16)7-15-13(17)12(14)9-18-8-11-5-3-2-4-6-11/h2-6,12H,7-9,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide?
2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide has a molecular weight of 250.30 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide is sourced from PubChem (CID 143126670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).