N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide

C25H32N2O3 — CID 53110439

IUPACN-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CNC(=O)C2(c3ccc(NC(=O)C(C)C)cc3)CCCCC2)c1
InChIInChI=1S/C25H32N2O3/c1-18(2)23(28)27-21-12-10-20(11-13-21)25(14-5-4-6-15-25)24(29)26-17-19-8-7-9-22(16-19)30-3/h7-13,16,18H,4-6,14-15,17H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyOVXZZTGDBREXAL-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.81
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide

N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 53110439) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID53110439
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CNC(=O)C2(c3ccc(NC(=O)C(C)C)cc3)CCCCC2)c1
InChIInChI=1S/C25H32N2O3/c1-18(2)23(28)27-21-12-10-20(11-13-21)25(14-5-4-6-15-25)24(29)26-17-19-8-7-9-22(16-19)30-3/h7-13,16,18H,4-6,14-15,17H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyOVXZZTGDBREXAL-UHFFFAOYSA-N
XLogP4.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110550
1-[4-(2-methylpropanoylamino)phenyl]-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 53110454
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713
1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816293
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 53110383
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 80597303
1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55961922
2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide (CID 53110439) is N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide is COc1cccc(CNC(=O)C2(c3ccc(NC(=O)C(C)C)cc3)CCCCC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is OVXZZTGDBREXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18(2)23(28)27-21-12-10-20(11-13-21)25(14-5-4-6-15-25)24(29)26-17-19-8-7-9-22(16-19)30-3/h7-13,16,18H,4-6,14-15,17H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 53110439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).