3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide

C14H19ClN2O — CID 62669636

IUPAC3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
SMILESCC(CN)C(=O)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H19ClN2O/c1-10(8-16)14(18)17(13-6-7-13)9-11-2-4-12(15)5-3-11/h2-5,10,13H,6-9,16H2,1H3
InChIKeyZIDGOEWCLUTXOS-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.43
Rot. Bonds5

About 3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide

3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide (PubChem CID 62669636) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
PubChem CID62669636
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
SMILESCC(CN)C(=O)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H19ClN2O/c1-10(8-16)14(18)17(13-6-7-13)9-11-2-4-12(15)5-3-11/h2-5,10,13H,6-9,16H2,1H3
InChIKeyZIDGOEWCLUTXOS-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpentanamide
CID 61163913
4-[(4-chlorophenyl)methyl-cyclopropylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497654
4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 80543130
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide
CID 60938691
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 65230166
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 55104325
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-N-cyclopropylpropanamide
CID 77144541

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of 3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide (CID 62669636) is 3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide is CC(CN)C(=O)N(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide?
The InChIKey is ZIDGOEWCLUTXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(8-16)14(18)17(13-6-7-13)9-11-2-4-12(15)5-3-11/h2-5,10,13H,6-9,16H2,1H3.
What are the key properties of 3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide?
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide has a molecular weight of 266.77 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 62669636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).