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

C12H17N3O2 — CID 63324363

IUPAC4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
SMILESNC(=O)CNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C12H17N3O2/c13-10(9-4-2-1-3-5-9)6-7-12(17)15-8-11(14)16/h1-5,10H,6-8,13H2,(H2,14,16)(H,15,17)
InChIKeyBTOPHMKVVQDHCE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.07
Rot. Bonds6

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

4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide (PubChem CID 63324363) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
PubChem CID63324363
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
SMILESNC(=O)CNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C12H17N3O2/c13-10(9-4-2-1-3-5-9)6-7-12(17)15-8-11(14)16/h1-5,10H,6-8,13H2,(H2,14,16)(H,15,17)
InChIKeyBTOPHMKVVQDHCE-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
CID 114332251
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate
CID 11975613
4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
CID 65106116
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
2-[[2-(benzhydrylamino)acetyl]amino]acetamide
CID 8596592
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide (CID 63324363) is 4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide is NC(=O)CNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide?
The InChIKey is BTOPHMKVVQDHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10(9-4-2-1-3-5-9)6-7-12(17)15-8-11(14)16/h1-5,10H,6-8,13H2,(H2,14,16)(H,15,17).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide?
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide has a molecular weight of 235.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide is sourced from PubChem (CID 63324363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).