2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide

C12H17N3O2 — CID 114924624

IUPAC2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
SMILESNC(=O)CNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C12H17N3O2/c13-10(12(17)15-8-11(14)16)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H2,14,16)(H,15,17)
InChIKeyIPNSAEWYIWOLSD-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.45
Rot. Bonds6

About 2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide

2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide (PubChem CID 114924624) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
PubChem CID114924624
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
SMILESNC(=O)CNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C12H17N3O2/c13-10(12(17)15-8-11(14)16)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H2,14,16)(H,15,17)
InChIKeyIPNSAEWYIWOLSD-UHFFFAOYSA-N
XLogP-0.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-chloroprop-2-enyl)-4-phenylbutanamide
CID 104984800
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
2-[[(2S)-2-amino-4-phenylbutanoyl]amino]ethyl carbamate
CID 104984749
[2-[[(2S)-2-amino-4-phenylbutanoyl]amino]acetyl] benzoate
CID 131713750
2-amino-N-but-2-ynyl-4-phenylbutanamide
CID 114929350
(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
2-amino-N-[2-(diethylamino)ethyl]-4-phenylbutanamide
CID 114924642
3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
CID 114928129
(2S)-2-amino-N-[(2-bromophenyl)methyl]-4-phenylbutanamide
CID 104984212
2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
CID 114924929

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide (CID 114924624) is 2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide is NC(=O)CNC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide?
The InChIKey is IPNSAEWYIWOLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10(12(17)15-8-11(14)16)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide?
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide has a molecular weight of 235.29 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide is sourced from PubChem (CID 114924624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).