2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide

C16H25ClN2O — CID 81353387

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-5-6-11(2)18-16(20)13(4)19-12(3)14-7-9-15(17)10-8-14/h7-13,19H,5-6H2,1-4H3,(H,18,20)/t11?,12-,13?/m1/s1
InChIKeyMEJDKKKTJRAIQZ-OTTFEQOBSA-N
MW296.84 g/mol
LogP3.68
Rot. Bonds7

About 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide (PubChem CID 81353387) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
PubChem CID81353387
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-5-6-11(2)18-16(20)13(4)19-12(3)14-7-9-15(17)10-8-14/h7-13,19H,5-6H2,1-4H3,(H,18,20)/t11?,12-,13?/m1/s1
InChIKeyMEJDKKKTJRAIQZ-OTTFEQOBSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404441
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81374940
2-[1-(4-chlorophenyl)ethylamino]hexanoic acid
CID 103244944
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide (CID 81353387) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide?
The InChIKey is MEJDKKKTJRAIQZ-OTTFEQOBSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-6-11(2)18-16(20)13(4)19-12(3)14-7-9-15(17)10-8-14/h7-13,19H,5-6H2,1-4H3,(H,18,20)/t11?,12-,13?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide has a molecular weight of 296.84 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 81353387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).