4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide

C21H25NO2 — CID 4139874

IUPAC4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)C3CCC(C)CC3)cc2)c1
InChIInChI=1S/C21H25NO2/c1-15-6-8-17(9-7-15)21(23)22-18-10-12-19(13-11-18)24-20-5-3-4-16(2)14-20/h3-5,10-15,17H,6-9H2,1-2H3,(H,22,23)
InChIKeyTUMVHAACLCQCRQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.55
Rot. Bonds4

About 4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide

4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 4139874) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID4139874
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)C3CCC(C)CC3)cc2)c1
InChIInChI=1S/C21H25NO2/c1-15-6-8-17(9-7-15)21(23)22-18-10-12-19(13-11-18)24-20-5-3-4-16(2)14-20/h3-5,10-15,17H,6-9H2,1-2H3,(H,22,23)
InChIKeyTUMVHAACLCQCRQ-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
(3R)-1-(2,6-dimethylphenyl)-N-[4-(3-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9056452
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
CID 2446291
4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 55678662
3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 75502896
(3R)-1-(2,3-dimethylphenyl)-N-[4-(3-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7925003
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide (CID 4139874) is 4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide is Cc1cccc(Oc2ccc(NC(=O)C3CCC(C)CC3)cc2)c1.
What is the InChIKey of 4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is TUMVHAACLCQCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15-6-8-17(9-7-15)21(23)22-18-10-12-19(13-11-18)24-20-5-3-4-16(2)14-20/h3-5,10-15,17H,6-9H2,1-2H3,(H,22,23).
What are the key properties of 4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide?
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 4139874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).