N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide

C23H28ClNO2 — CID 138553761

IUPACN-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide
SMILESCc1cccc(COC2CCC(C(C)C(=O)Nc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H28ClNO2/c1-16-4-3-5-18(14-16)15-27-22-12-6-19(7-13-22)17(2)23(26)25-21-10-8-20(24)9-11-21/h3-5,8-11,14,17,19,22H,6-7,12-13,15H2,1-2H3,(H,25,26)
InChIKeyWHNQSMJPONTLIO-UHFFFAOYSA-N
MW385.94 g/mol
LogP6.00
Rot. Bonds6

About N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide

N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide (PubChem CID 138553761) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide
PubChem CID138553761
Molecular FormulaC23H28ClNO2
Molecular Weight385.94 g/mol
Exact Mass385.18
IUPAC NameN-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide
SMILESCc1cccc(COC2CCC(C(C)C(=O)Nc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H28ClNO2/c1-16-4-3-5-18(14-16)15-27-22-12-6-19(7-13-22)17(2)23(26)25-21-10-8-20(24)9-11-21/h3-5,8-11,14,17,19,22H,6-7,12-13,15H2,1-2H3,(H,25,26)
InChIKeyWHNQSMJPONTLIO-UHFFFAOYSA-N
XLogP6.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylcyclohexyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide
CID 138553616
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869
N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide
CID 138554091
4-[(3-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807401
N-[3-(cyclohexyloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119753884
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
CID 113414232
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
2-cyclopropyl-N-[4-(methylaminomethyl)phenyl]propanamide
CID 106909989
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide (CID 138553761) is N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide is Cc1cccc(COC2CCC(C(C)C(=O)Nc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide?
The InChIKey is WHNQSMJPONTLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO2/c1-16-4-3-5-18(14-16)15-27-22-12-6-19(7-13-22)17(2)23(26)25-21-10-8-20(24)9-11-21/h3-5,8-11,14,17,19,22H,6-7,12-13,15H2,1-2H3,(H,25,26).
What are the key properties of N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide?
N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide has a molecular weight of 385.94 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-[(3-methylphenyl)methoxy]cyclohexyl]propanamide is sourced from PubChem (CID 138553761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).