N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide

C26H34N2O3 — CID 4948334

IUPACN-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C26H34N2O3/c1-19(2)17-18-31-22-15-13-20(14-16-22)25(29)27-24-12-8-7-11-23(24)26(30)28(3)21-9-5-4-6-10-21/h7-8,11-16,19,21H,4-6,9-10,17-18H2,1-3H3,(H,27,29)
InChIKeyMOQWMYAUOCQQJG-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.77
Rot. Bonds8

About N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide

N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide (PubChem CID 4948334) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide
PubChem CID4948334
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C26H34N2O3/c1-19(2)17-18-31-22-15-13-20(14-16-22)25(29)27-24-12-8-7-11-23(24)26(30)28(3)21-9-5-4-6-10-21/h7-8,11-16,19,21H,4-6,9-10,17-18H2,1-3H3,(H,27,29)
InChIKeyMOQWMYAUOCQQJG-UHFFFAOYSA-N
XLogP5.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
CID 4948247
N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4955039
3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide
CID 17133511
4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide
CID 17093762
N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
N,N-dimethyl-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938525
N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17093283
2-[(3-butoxybenzoyl)carbamothioylamino]-N-cyclohexyl-N-methylbenzamide
CID 4957122
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide (CID 4948334) is N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide?
The InChIKey is MOQWMYAUOCQQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-19(2)17-18-31-22-15-13-20(14-16-22)25(29)27-24-12-8-7-11-23(24)26(30)28(3)21-9-5-4-6-10-21/h7-8,11-16,19,21H,4-6,9-10,17-18H2,1-3H3,(H,27,29).
What are the key properties of N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide?
N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide has a molecular weight of 422.57 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 4948334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).