N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide

C15H21ClN2O2 — CID 18205641

IUPACN-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)14(20)17-8-7-13(19)18-10-11-5-4-6-12(16)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyFYFKCRYQBBSJQK-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.51
Rot. Bonds5

About N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 18205641) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID18205641
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)14(20)17-8-7-13(19)18-10-11-5-4-6-12(16)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyFYFKCRYQBBSJQK-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]carbamate
CID 9209944
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N-[(3-chlorophenyl)methyl]propanamide
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CID 9209918
N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
1-[(3-chlorophenyl)methyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911577
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 18205641) is N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is FYFKCRYQBBSJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-15(2,3)14(20)17-8-7-13(19)18-10-11-5-4-6-12(16)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18205641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).