2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide

C22H26N2O3 — CID 69091547

IUPAC2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOC(NC(=O)c1cccc(C(N)=O)c1C1CCCCC1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-27-22(16-11-6-3-7-12-16)24-21(26)18-14-8-13-17(20(23)25)19(18)15-9-4-2-5-10-15/h3,6-8,11-15,22H,2,4-5,9-10H2,1H3,(H2,23,25)(H,24,26)
InChIKeyOLHNTWIGTJYWFX-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.91
Rot. Bonds6

About 2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide

2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 69091547) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID69091547
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOC(NC(=O)c1cccc(C(N)=O)c1C1CCCCC1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-27-22(16-11-6-3-7-12-16)24-21(26)18-14-8-13-17(20(23)25)19(18)15-9-4-2-5-10-15/h3,6-8,11-15,22H,2,4-5,9-10H2,1H3,(H2,23,25)(H,24,26)
InChIKeyOLHNTWIGTJYWFX-UHFFFAOYSA-N
XLogP3.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
Methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate
CID 4808058
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
Methyl 3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]benzoate
CID 44573578
Methyl 3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzoate
CID 72195505
N-(4-phenylmethoxybut-2-ynyl)benzamide
CID 5461831
[2''-(1-Carbamoyl-3-methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 11070755
benzyl N-[[3-methyl-2-[2-methyl-6-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 11826630
Methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167
Methyl 4-[4-[2-(benzylamino)-2-oxoethyl]phenyl]benzoate
CID 90681443
methyl 3-[4-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]naphthalen-1-yl]benzoate
CID 127035947
N-benzhydryl-3-(methoxymethyl)benzamide
CID 7603142

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide (CID 69091547) is 2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide is COC(NC(=O)c1cccc(C(N)=O)c1C1CCCCC1)c1ccccc1.
What is the InChIKey of 2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is OLHNTWIGTJYWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-22(16-11-6-3-7-12-16)24-21(26)18-14-8-13-17(20(23)25)19(18)15-9-4-2-5-10-15/h3,6-8,11-15,22H,2,4-5,9-10H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of 2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide?
2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-N-[methoxy(phenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 69091547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).