N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide

C15H23ClN2O — CID 54870564

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-11(2)17-10-9-15(19)18(4)12(3)13-5-7-14(16)8-6-13/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyYWDLPAYFRYRJJN-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.25
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide

N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide (PubChem CID 54870564) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
PubChem CID54870564
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-11(2)17-10-9-15(19)18(4)12(3)13-5-7-14(16)8-6-13/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyYWDLPAYFRYRJJN-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 47025634
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46598912
N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46431231
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134003912
2-[(E)-but-2-enyl]sulfonyl-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 75408457
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
N-[1-(4-chlorophenyl)ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylpropanamide
CID 46598913
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
3-butyl-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 113221619

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide (CID 54870564) is N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The InChIKey is YWDLPAYFRYRJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(2)17-10-9-15(19)18(4)12(3)13-5-7-14(16)8-6-13/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide?
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide has a molecular weight of 282.81 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54870564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).