N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide

C23H28ClNO3 — CID 100672829

IUPACN-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl
InChIInChI=1S/C23H28ClNO3/c1-17-6-8-18(9-7-17)23(12-4-3-5-13-23)22(26)25-19-10-11-21(20(24)16-19)28-15-14-27-2/h6-11,16H,3-5,12-15H2,1-2H3,(H,25,26)
InChIKeyRBIPTEJHNHBKFE-UHFFFAOYSA-N
MW401.93 g/mol
LogP5.51
Rot. Bonds7

About N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide

N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 100672829) has the molecular formula C23H28ClNO3 and a molecular weight of 401.93 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID100672829
Molecular FormulaC23H28ClNO3
Molecular Weight401.93 g/mol
Exact Mass401.18
IUPAC NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl
InChIInChI=1S/C23H28ClNO3/c1-17-6-8-18(9-7-17)23(12-4-3-5-13-23)22(26)25-19-10-11-21(20(24)16-19)28-15-14-27-2/h6-11,16H,3-5,12-15H2,1-2H3,(H,25,26)
InChIKeyRBIPTEJHNHBKFE-UHFFFAOYSA-N
XLogP5.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.93
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100675916
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970
N-(4-butoxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672545
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 100784364
ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672586
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 32520661
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
1-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771355

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide (CID 100672829) is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide is COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is RBIPTEJHNHBKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO3/c1-17-6-8-18(9-7-17)23(12-4-3-5-13-23)22(26)25-19-10-11-21(20(24)16-19)28-15-14-27-2/h6-11,16H,3-5,12-15H2,1-2H3,(H,25,26).
What are the key properties of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide?
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 401.93 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100672829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).