2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide

C17H25N3O4 — CID 112999302

IUPAC2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C17H25N3O4/c1-23-14-9-8-13(10-15(14)24-2)19-16(21)11-18-17(22)20-12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyKTGMEAGDRAATKA-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.27
Rot. Bonds6

About 2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide

2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 112999302) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID112999302
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C17H25N3O4/c1-23-14-9-8-13(10-15(14)24-2)19-16(21)11-18-17(22)20-12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyKTGMEAGDRAATKA-UHFFFAOYSA-N
XLogP2.27
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
2-(cyclopropylcarbamoylamino)-N-(3,4-dimethylphenyl)acetamide
CID 47158827
N-(4-chloro-2,5-dimethoxyphenyl)-2-(cyclohexylcarbamoylamino)acetamide
CID 113001569
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825817
1-(cyclohexylcarbamothioylamino)-3-(3,4-dimethoxyphenyl)urea
CID 1295411
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide
CID 111075467
N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide
CID 131919860
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide (CID 112999302) is 2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNC(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of 2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is KTGMEAGDRAATKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-14-9-8-13(10-15(14)24-2)19-16(21)11-18-17(22)20-12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H,19,21)(H2,18,20,22).
What are the key properties of 2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide?
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 112999302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).