N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide

C29H32N2O4 — CID 4955039

IUPACN-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESCN(C(=O)c1ccccc1NC(=O)c1cccc(OCCOc2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C29H32N2O4/c1-31(23-12-4-2-5-13-23)29(33)26-17-8-9-18-27(26)30-28(32)22-11-10-16-25(21-22)35-20-19-34-24-14-6-3-7-15-24/h3,6-11,14-18,21,23H,2,4-5,12-13,19-20H2,1H3,(H,30,32)
InChIKeyQRYIHYCGVMSWRN-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.80
Rot. Bonds9

About N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide

N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide (PubChem CID 4955039) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
PubChem CID4955039
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC NameN-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESCN(C(=O)c1ccccc1NC(=O)c1cccc(OCCOc2ccccc2)c1)C1CCCCC1
InChIInChI=1S/C29H32N2O4/c1-31(23-12-4-2-5-13-23)29(33)26-17-8-9-18-27(26)30-28(32)22-11-10-16-25(21-22)35-20-19-34-24-14-6-3-7-15-24/h3,6-11,14-18,21,23H,2,4-5,12-13,19-20H2,1H3,(H,30,32)
InChIKeyQRYIHYCGVMSWRN-UHFFFAOYSA-N
XLogP5.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-butoxybenzoyl)carbamothioylamino]-N-cyclohexyl-N-methylbenzamide
CID 4957122
N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871
N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4948334
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide
CID 17133511
2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
CID 4956533
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4955000
N-benzyl-2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-methylbenzamide
CID 17139628
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 17351509
N-cyclohexyl-2-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 4938931

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide (CID 4955039) is N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide is CN(C(=O)c1ccccc1NC(=O)c1cccc(OCCOc2ccccc2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The InChIKey is QRYIHYCGVMSWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-31(23-12-4-2-5-13-23)29(33)26-17-8-9-18-27(26)30-28(32)22-11-10-16-25(21-22)35-20-19-34-24-14-6-3-7-15-24/h3,6-11,14-18,21,23H,2,4-5,12-13,19-20H2,1H3,(H,30,32).
What are the key properties of N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide has a molecular weight of 472.59 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 4955039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).