4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide

C20H29BrN2O4 — CID 55982692

IUPAC4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide
SMILESCCN(CC)C(=O)C1(NC(=O)c2cc(OC)c(Br)c(OC)c2)CCCCC1
InChIInChI=1S/C20H29BrN2O4/c1-5-23(6-2)19(25)20(10-8-7-9-11-20)22-18(24)14-12-15(26-3)17(21)16(13-14)27-4/h12-13H,5-11H2,1-4H3,(H,22,24)
InChIKeyUEZJBPCGZXRMPJ-UHFFFAOYSA-N
MW441.37 g/mol
LogP3.77
Rot. Bonds7

About 4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide

4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide (PubChem CID 55982692) has the molecular formula C20H29BrN2O4 and a molecular weight of 441.37 g/mol. Its IUPAC name is 4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide
PubChem CID55982692
Molecular FormulaC20H29BrN2O4
Molecular Weight441.37 g/mol
Exact Mass440.13
IUPAC Name4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide
SMILESCCN(CC)C(=O)C1(NC(=O)c2cc(OC)c(Br)c(OC)c2)CCCCC1
InChIInChI=1S/C20H29BrN2O4/c1-5-23(6-2)19(25)20(10-8-7-9-11-20)22-18(24)14-12-15(26-3)17(21)16(13-14)27-4/h12-13H,5-11H2,1-4H3,(H,22,24)
InChIKeyUEZJBPCGZXRMPJ-UHFFFAOYSA-N
XLogP3.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 55982175
1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 52725058
4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide
CID 55979927
1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
CID 119300648
3-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-4,5-dimethoxybenzamide
CID 55768059
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
1-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55983329
N,N-diethyl-1-[4-(methylamino)butanoylamino]cyclohexane-1-carboxamide
CID 119743937
ethyl 6-[[1-(diethylcarbamoyl)cyclohexyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55982184
1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55981090
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
CID 119568346
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide (CID 55982692) is 4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide is CCN(CC)C(=O)C1(NC(=O)c2cc(OC)c(Br)c(OC)c2)CCCCC1.
What is the InChIKey of 4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide?
The InChIKey is UEZJBPCGZXRMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN2O4/c1-5-23(6-2)19(25)20(10-8-7-9-11-20)22-18(24)14-12-15(26-3)17(21)16(13-14)27-4/h12-13H,5-11H2,1-4H3,(H,22,24).
What are the key properties of 4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide?
4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide has a molecular weight of 441.37 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(diethylcarbamoyl)cyclohexyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 55982692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).