N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide

C19H27ClN2O2 — CID 113056239

IUPACN-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCCC1)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O2/c1-15(23)22(13-11-16-7-9-18(20)10-8-16)14-12-21-19(24)17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,21,24)
InChIKeyGPQAVCDWEJKOCU-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.43
Rot. Bonds7

About N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide

N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide (PubChem CID 113056239) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
PubChem CID113056239
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCCC1)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN2O2/c1-15(23)22(13-11-16-7-9-18(20)10-8-16)14-12-21-19(24)17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,21,24)
InChIKeyGPQAVCDWEJKOCU-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
CID 113056225
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide
CID 113056238
N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056288
1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149303
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
CID 113056272
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide (CID 113056239) is N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide is CC(=O)N(CCNC(=O)C1CCCCC1)CCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide?
The InChIKey is GPQAVCDWEJKOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-15(23)22(13-11-16-7-9-18(20)10-8-16)14-12-21-19(24)17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide?
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide has a molecular weight of 350.89 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113056239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).