3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C24H30N2O4 — CID 39899444

IUPAC3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1OC
InChIInChI=1S/C24H30N2O4/c1-29-21-12-11-17(15-22(21)30-2)13-14-25-23(27)19-9-6-10-20(16-19)26-24(28)18-7-4-3-5-8-18/h6,9-12,15-16,18H,3-5,7-8,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFUGQEDQEDVCYRZ-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.20
Rot. Bonds8

About 3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 39899444) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID39899444
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1OC
InChIInChI=1S/C24H30N2O4/c1-29-21-12-11-17(15-22(21)30-2)13-14-25-23(27)19-9-6-10-20(16-19)26-24(28)18-7-4-3-5-8-18/h6,9-12,15-16,18H,3-5,7-8,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFUGQEDQEDVCYRZ-UHFFFAOYSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
CID 17359975
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943944
N-[3-[[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111213695
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
CID 119508589
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 3901143
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 39899444) is 3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1OC.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is FUGQEDQEDVCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-29-21-12-11-17(15-22(21)30-2)13-14-25-23(27)19-9-6-10-20(16-19)26-24(28)18-7-4-3-5-8-18/h6,9-12,15-16,18H,3-5,7-8,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 410.51 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 39899444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).