2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide

C17H25ClN2O — CID 81371173

IUPAC2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide
SMILESCC(N[C@@H](C)c1cccc(Cl)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H25ClN2O/c1-12(14-7-6-8-15(18)11-14)19-13(2)17(21)20-16-9-4-3-5-10-16/h6-8,11-13,16,19H,3-5,9-10H2,1-2H3,(H,20,21)/t12-,13?/m0/s1
InChIKeyWLSOLUCWIRLAED-UEWDXFNNSA-N
MW308.85 g/mol
LogP3.83
Rot. Bonds5

About 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide (PubChem CID 81371173) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide
PubChem CID81371173
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide
SMILESCC(N[C@@H](C)c1cccc(Cl)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H25ClN2O/c1-12(14-7-6-8-15(18)11-14)19-13(2)17(21)20-16-9-4-3-5-10-16/h6-8,11-13,16,19H,3-5,9-10H2,1-2H3,(H,20,21)/t12-,13?/m0/s1
InChIKeyWLSOLUCWIRLAED-UEWDXFNNSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801
2-[1-(3-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 112551799
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
CID 8005843
2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide
CID 46667108
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide (CID 81371173) is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide is CC(N[C@@H](C)c1cccc(Cl)c1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide?
The InChIKey is WLSOLUCWIRLAED-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12(14-7-6-8-15(18)11-14)19-13(2)17(21)20-16-9-4-3-5-10-16/h6-8,11-13,16,19H,3-5,9-10H2,1-2H3,(H,20,21)/t12-,13?/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide?
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide has a molecular weight of 308.85 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 81371173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).