3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide

C18H26N2O4 — CID 46651506

IUPAC3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC2CCCCC2C)cc1OC
InChIInChI=1S/C18H26N2O4/c1-12-6-4-5-7-14(12)20-17(21)11-19-18(22)13-8-9-15(23-2)16(10-13)24-3/h8-10,12,14H,4-7,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyCEFUTMXVIGUTCP-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.13
Rot. Bonds6

About 3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide

3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide (PubChem CID 46651506) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
PubChem CID46651506
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC2CCCCC2C)cc1OC
InChIInChI=1S/C18H26N2O4/c1-12-6-4-5-7-14(12)20-17(21)11-19-18(22)13-8-9-15(23-2)16(10-13)24-3/h8-10,12,14H,4-7,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyCEFUTMXVIGUTCP-UHFFFAOYSA-N
XLogP2.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675967
1-[(3,4-dimethoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8625077
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate
CID 9363547
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
N-[[4-[(2,3-dimethylcyclohexyl)carbamoyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 23769204
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide (CID 46651506) is 3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)NC2CCCCC2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
The InChIKey is CEFUTMXVIGUTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-6-4-5-7-14(12)20-17(21)11-19-18(22)13-8-9-15(23-2)16(10-13)24-3/h8-10,12,14H,4-7,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide?
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46651506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).