2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide

C16H25ClN2O — CID 43675021

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(C)c1ccccc1Cl)C(=O)N(C)C
InChIInChI=1S/C16H25ClN2O/c1-11(2)10-15(16(20)19(4)5)18-12(3)13-8-6-7-9-14(13)17/h6-9,11-12,15,18H,10H2,1-5H3
InChIKeyALGSBCBYTZORJN-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.49
Rot. Bonds6

About 2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide

2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide (PubChem CID 43675021) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide
PubChem CID43675021
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(C)c1ccccc1Cl)C(=O)N(C)C
InChIInChI=1S/C16H25ClN2O/c1-11(2)10-15(16(20)19(4)5)18-12(3)13-8-6-7-9-14(13)17/h6-9,11-12,15,18H,10H2,1-5H3
InChIKeyALGSBCBYTZORJN-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81378293
2-[1-(2,4-difluorophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675015
2-[1-(2-chlorophenyl)ethylamino]butanamide
CID 62899850
2-[1-(2-hydroxy-5-methylphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675117
2-[1-(2,4-dibromophenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 60781725
N,N,4-trimethyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanamide
CID 43675082
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057
2-[1-(3-methoxyphenyl)ethylamino]-N,N,4-trimethylpentanamide
CID 43675083
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9306615
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide (CID 43675021) is 2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide is CC(C)CC(NC(C)c1ccccc1Cl)C(=O)N(C)C.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide?
The InChIKey is ALGSBCBYTZORJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11(2)10-15(16(20)19(4)5)18-12(3)13-8-6-7-9-14(13)17/h6-9,11-12,15,18H,10H2,1-5H3.
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide?
2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide has a molecular weight of 296.84 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 43675021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).