(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide

C13H19N3O2 — CID 66657977

IUPAC(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide
SMILESCC(C)N(CC(N)=O)[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(2)16(8-11(14)17)12(13(15)18)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H2,14,17)(H2,15,18)/t12-/m0/s1
InChIKeySFQPCNWSVRDHAH-LBPRGKRZSA-N
MW249.31 g/mol
LogP0.41
Rot. Bonds6

About (2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide

(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide (PubChem CID 66657977) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide
PubChem CID66657977
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide
SMILESCC(C)N(CC(N)=O)[C@H](C(N)=O)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(2)16(8-11(14)17)12(13(15)18)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H2,14,17)(H2,15,18)/t12-/m0/s1
InChIKeySFQPCNWSVRDHAH-LBPRGKRZSA-N
XLogP0.41
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-oxo-1-phenylpropan-2-yl)-propan-2-ylamino]acetamide
CID 60680052
3-amino-N-(2-amino-2-oxoethyl)-2-phenyl-N-propan-2-ylpropanamide
CID 62877996
2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide
CID 55020220
2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide
CID 82978295
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
CID 54994766
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride
CID 119337389
2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide
CID 63573273
N-(2-amino-2-oxoethyl)-2-(methylamino)-N-[(1R)-1-phenylethyl]acetamide
CID 119807877
2-[(3-amino-1-phenylpropyl)-methylamino]acetamide
CID 62780025
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302
2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide
CID 64536746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide (CID 66657977) is (2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide is CC(C)N(CC(N)=O)[C@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide?
The InChIKey is SFQPCNWSVRDHAH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)16(8-11(14)17)12(13(15)18)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H2,14,17)(H2,15,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide?
(2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-phenylacetamide is sourced from PubChem (CID 66657977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).