2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide

C14H18ClN3O2 — CID 60938691

IUPAC2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide
SMILESNC(=O)CC(N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H18ClN3O2/c15-10-3-1-9(2-4-10)8-18(11-5-6-11)14(20)12(16)7-13(17)19/h1-4,11-12H,5-8,16H2,(H2,17,19)
InChIKeyXILQSEMCQPOMKD-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.03
Rot. Bonds6

About 2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide

2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide (PubChem CID 60938691) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide.

Molecular Properties

Compound Name2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide
PubChem CID60938691
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide
SMILESNC(=O)CC(N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H18ClN3O2/c15-10-3-1-9(2-4-10)8-18(11-5-6-11)14(20)12(16)7-13(17)19/h1-4,11-12H,5-8,16H2,(H2,17,19)
InChIKeyXILQSEMCQPOMKD-UHFFFAOYSA-N
XLogP1.03
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
CID 61163913
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636
4-[(4-chlorophenyl)methyl-cyclopropylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497654
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
CID 79211120
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871
4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid
CID 64890090

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide?
The IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide (CID 60938691) is 2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide.
What is the SMILES notation for 2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide?
The canonical SMILES for 2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide is NC(=O)CC(N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide?
The InChIKey is XILQSEMCQPOMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-10-3-1-9(2-4-10)8-18(11-5-6-11)14(20)12(16)7-13(17)19/h1-4,11-12H,5-8,16H2,(H2,17,19).
What are the key properties of 2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide?
2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide has a molecular weight of 295.77 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide is sourced from PubChem (CID 60938691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).