2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide

C17H27ClN2O — CID 112811643

IUPAC2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(NC(C)C(=O)NC(C)(C)CC)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O/c1-6-15(13-8-10-14(18)11-9-13)19-12(3)16(21)20-17(4,5)7-2/h8-12,15,19H,6-7H2,1-5H3,(H,20,21)
InChIKeyZRDQIMUZVIDZBR-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.07
Rot. Bonds7

About 2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide

2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 112811643) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID112811643
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(NC(C)C(=O)NC(C)(C)CC)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O/c1-6-15(13-8-10-14(18)11-9-13)19-12(3)16(21)20-17(4,5)7-2/h8-12,15,19H,6-7H2,1-5H3,(H,20,21)
InChIKeyZRDQIMUZVIDZBR-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide
CID 43402967
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
CID 43113751
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409616
2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115576764
N-(2-methylbutan-2-yl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
CID 61473838
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide
CID 43750698
2-[1-(4-chlorophenyl)butylamino]propanamide
CID 43545331
4-[1-(4-chlorophenyl)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497036
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide (CID 112811643) is 2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide is CCC(NC(C)C(=O)NC(C)(C)CC)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is ZRDQIMUZVIDZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-6-15(13-8-10-14(18)11-9-13)19-12(3)16(21)20-17(4,5)7-2/h8-12,15,19H,6-7H2,1-5H3,(H,20,21).
What are the key properties of 2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide?
2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 310.87 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylamino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 112811643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).