4-amino-N-(1-phenylpropyl)butanamide

C13H20N2O — CID 62305395

IUPAC4-amino-N-(1-phenylpropyl)butanamide
SMILESCCC(NC(=O)CCCN)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-12(11-7-4-3-5-8-11)15-13(16)9-6-10-14/h3-5,7-8,12H,2,6,9-10,14H2,1H3,(H,15,16)
InChIKeyMNVZQKNGQFSSQP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.99
Rot. Bonds6

About 4-amino-N-(1-phenylpropyl)butanamide

4-amino-N-(1-phenylpropyl)butanamide (PubChem CID 62305395) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-amino-N-(1-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1-phenylpropyl)butanamide
PubChem CID62305395
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-amino-N-(1-phenylpropyl)butanamide
SMILESCCC(NC(=O)CCCN)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-12(11-7-4-3-5-8-11)15-13(16)9-6-10-14/h3-5,7-8,12H,2,6,9-10,14H2,1H3,(H,15,16)
InChIKeyMNVZQKNGQFSSQP-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate
CID 119320311
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
3-(9-aminononanoylamino)-3-phenylpropanoic acid;methoxymethane
CID 160625754
7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
CID 119689313
4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
CID 119300535
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide
CID 119299788
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-phenylpropyl)butanamide?
The IUPAC name of 4-amino-N-(1-phenylpropyl)butanamide (CID 62305395) is 4-amino-N-(1-phenylpropyl)butanamide.
What is the SMILES notation for 4-amino-N-(1-phenylpropyl)butanamide?
The canonical SMILES for 4-amino-N-(1-phenylpropyl)butanamide is CCC(NC(=O)CCCN)c1ccccc1.
What is the InChIKey of 4-amino-N-(1-phenylpropyl)butanamide?
The InChIKey is MNVZQKNGQFSSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-12(11-7-4-3-5-8-11)15-13(16)9-6-10-14/h3-5,7-8,12H,2,6,9-10,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(1-phenylpropyl)butanamide?
4-amino-N-(1-phenylpropyl)butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-phenylpropyl)butanamide is sourced from PubChem (CID 62305395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).