N-[4-(2-aminoacetyl)phenyl]butanamide

C12H16N2O2 — CID 170860322

IUPACN-[4-(2-aminoacetyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)CN)cc1
InChIInChI=1S/C12H16N2O2/c1-2-3-12(16)14-10-6-4-9(5-7-10)11(15)8-13/h4-7H,2-3,8,13H2,1H3,(H,14,16)
InChIKeyNSNZSCGSAGHENN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.57
Rot. Bonds5

About N-[4-(2-aminoacetyl)phenyl]butanamide

N-[4-(2-aminoacetyl)phenyl]butanamide (PubChem CID 170860322) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[4-(2-aminoacetyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(2-aminoacetyl)phenyl]butanamide
PubChem CID170860322
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[4-(2-aminoacetyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)CN)cc1
InChIInChI=1S/C12H16N2O2/c1-2-3-12(16)14-10-6-4-9(5-7-10)11(15)8-13/h4-7H,2-3,8,13H2,1H3,(H,14,16)
InChIKeyNSNZSCGSAGHENN-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-iodobenzoate
CID 46805683
N-[4-(2-aminoacetyl)phenyl]-2-propan-2-ylsulfanylacetamide
CID 170860689
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7560345
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide
CID 7434036
N-(4-formylphenyl)butanamide
CID 14471017
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
2-amino-1-(4-hydrazinylphenyl)ethanone
CID 174286763
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
CID 119625603
N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide
CID 170860591

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoacetyl)phenyl]butanamide?
The IUPAC name of N-[4-(2-aminoacetyl)phenyl]butanamide (CID 170860322) is N-[4-(2-aminoacetyl)phenyl]butanamide.
What is the SMILES notation for N-[4-(2-aminoacetyl)phenyl]butanamide?
The canonical SMILES for N-[4-(2-aminoacetyl)phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)CN)cc1.
What is the InChIKey of N-[4-(2-aminoacetyl)phenyl]butanamide?
The InChIKey is NSNZSCGSAGHENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-12(16)14-10-6-4-9(5-7-10)11(15)8-13/h4-7H,2-3,8,13H2,1H3,(H,14,16).
What are the key properties of N-[4-(2-aminoacetyl)phenyl]butanamide?
N-[4-(2-aminoacetyl)phenyl]butanamide has a molecular weight of 220.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoacetyl)phenyl]butanamide is sourced from PubChem (CID 170860322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).