N-(3-aminobutyl)-3-phenylbutanamide

C14H22N2O — CID 119496736

IUPACN-(3-aminobutyl)-3-phenylbutanamide
SMILESCC(N)CCNC(=O)CC(C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(13-6-4-3-5-7-13)10-14(17)16-9-8-12(2)15/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyBROAAXXWOHGZPK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.03
Rot. Bonds6

About N-(3-aminobutyl)-3-phenylbutanamide

N-(3-aminobutyl)-3-phenylbutanamide (PubChem CID 119496736) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-phenylbutanamide
PubChem CID119496736
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(3-aminobutyl)-3-phenylbutanamide
SMILESCC(N)CCNC(=O)CC(C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(13-6-4-3-5-7-13)10-14(17)16-9-8-12(2)15/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyBROAAXXWOHGZPK-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride
CID 119495877
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
methyl 3-(3-phenylbutanoylamino)propanoate
CID 78784490
N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride
CID 119497857
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119254594
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-phenylbutanamide?
The IUPAC name of N-(3-aminobutyl)-3-phenylbutanamide (CID 119496736) is N-(3-aminobutyl)-3-phenylbutanamide.
What is the SMILES notation for N-(3-aminobutyl)-3-phenylbutanamide?
The canonical SMILES for N-(3-aminobutyl)-3-phenylbutanamide is CC(N)CCNC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(3-aminobutyl)-3-phenylbutanamide?
The InChIKey is BROAAXXWOHGZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(13-6-4-3-5-7-13)10-14(17)16-9-8-12(2)15/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-aminobutyl)-3-phenylbutanamide?
N-(3-aminobutyl)-3-phenylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-phenylbutanamide is sourced from PubChem (CID 119496736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).