N-cyclopropyl-4-(1-phenylpropylamino)butanamide

C16H24N2O — CID 79394506

IUPACN-cyclopropyl-4-(1-phenylpropylamino)butanamide
SMILESCCC(NCCCC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(13-7-4-3-5-8-13)17-12-6-9-16(19)18-14-10-11-14/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyBVXHTDBFZJXCSC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.79
Rot. Bonds8

About N-cyclopropyl-4-(1-phenylpropylamino)butanamide

N-cyclopropyl-4-(1-phenylpropylamino)butanamide (PubChem CID 79394506) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-cyclopropyl-4-(1-phenylpropylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1-phenylpropylamino)butanamide
PubChem CID79394506
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-cyclopropyl-4-(1-phenylpropylamino)butanamide
SMILESCCC(NCCCC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-2-15(13-7-4-3-5-8-13)17-12-6-9-16(19)18-14-10-11-14/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyBVXHTDBFZJXCSC-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-chlorophenyl)butylamino]-N-cyclopropylbutanamide
CID 79377021
5-(1-phenylpropylamino)pentanamide
CID 103529788
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
4-(1-cyanopropylamino)-N-cyclopropylbutanamide
CID 79394703
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 119716199
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794
N-cyclopropyl-4-[1-(3-nitrophenyl)ethylamino]butanamide
CID 79139820
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1-phenylpropylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(1-phenylpropylamino)butanamide (CID 79394506) is N-cyclopropyl-4-(1-phenylpropylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(1-phenylpropylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(1-phenylpropylamino)butanamide is CCC(NCCCC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-4-(1-phenylpropylamino)butanamide?
The InChIKey is BVXHTDBFZJXCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-15(13-7-4-3-5-8-13)17-12-6-9-16(19)18-14-10-11-14/h3-5,7-8,14-15,17H,2,6,9-12H2,1H3,(H,18,19).
What are the key properties of N-cyclopropyl-4-(1-phenylpropylamino)butanamide?
N-cyclopropyl-4-(1-phenylpropylamino)butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1-phenylpropylamino)butanamide is sourced from PubChem (CID 79394506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).