4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide

C15H23N3O — CID 66430398

IUPAC4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide
SMILESCC(NC(CN)CC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-11(12-5-3-2-4-6-12)17-14(10-16)9-15(19)18-13-7-8-13/h2-6,11,13-14,17H,7-10,16H2,1H3,(H,18,19)
InChIKeyMAHIZAOCDALMEG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.33
Rot. Bonds7

About 4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide

4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide (PubChem CID 66430398) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide
PubChem CID66430398
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide
SMILESCC(NC(CN)CC(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-11(12-5-3-2-4-6-12)17-14(10-16)9-15(19)18-13-7-8-13/h2-6,11,13-14,17H,7-10,16H2,1H3,(H,18,19)
InChIKeyMAHIZAOCDALMEG-UHFFFAOYSA-N
XLogP1.33
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
2-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228
4-amino-N-cyclopropyl-3-(1-hydroxypentan-3-ylamino)butanamide
CID 113495658
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide (CID 66430398) is 4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide is CC(NC(CN)CC(=O)NC1CC1)c1ccccc1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide?
The InChIKey is MAHIZAOCDALMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(12-5-3-2-4-6-12)17-14(10-16)9-15(19)18-13-7-8-13/h2-6,11,13-14,17H,7-10,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide?
4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide has a molecular weight of 261.37 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-(1-phenylethylamino)butanamide is sourced from PubChem (CID 66430398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).