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

C16H23ClN2O — CID 81371801

IUPAC2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
SMILESC[C@H](NCC(=O)NC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-12(13-6-5-7-14(17)10-13)18-11-16(20)19-15-8-3-2-4-9-15/h5-7,10,12,15,18H,2-4,8-9,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyXSILRWOKVNYYTD-LBPRGKRZSA-N
MW294.83 g/mol
LogP3.44
Rot. Bonds5

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

2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide (PubChem CID 81371801) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
PubChem CID81371801
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
SMILESC[C@H](NCC(=O)NC1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-12(13-6-5-7-14(17)10-13)18-11-16(20)19-15-8-3-2-4-9-15/h5-7,10,12,15,18H,2-4,8-9,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyXSILRWOKVNYYTD-LBPRGKRZSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63098158
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 81371173
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide (CID 81371801) is 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide is C[C@H](NCC(=O)NC1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide?
The InChIKey is XSILRWOKVNYYTD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(13-6-5-7-14(17)10-13)18-11-16(20)19-15-8-3-2-4-9-15/h5-7,10,12,15,18H,2-4,8-9,11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide?
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide has a molecular weight of 294.83 g/mol, XLogP of 3.44, 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-cyclohexylacetamide is sourced from PubChem (CID 81371801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).