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

C17H25NO3 — CID 2478929

IUPACN-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCCC2)cc1OC
InChIInChI=1S/C17H25NO3/c1-20-15-9-8-14(10-16(15)21-2)11-17(19)18-12-13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,18,19)
InChIKeyROQRFIWPRPEFAY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.94
Rot. Bonds6

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

N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2478929) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID2478929
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCCC2)cc1OC
InChIInChI=1S/C17H25NO3/c1-20-15-9-8-14(10-16(15)21-2)11-17(19)18-12-13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,18,19)
InChIKeyROQRFIWPRPEFAY-UHFFFAOYSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Capsaicin
CID 1548943
Rolipram
CID 5092
Zucapsaicin
CID 1548942
Olvanil
CID 5311093
Dihydrocapsaicin
CID 107982
Nonivamide
CID 2998
Nordihydrocapsaicin
CID 168836
Zatebradine
CID 65637
(3S,5S)-5-(3-(Cyclopentyloxy)-4-methoxyphenyl)-3-((3-methylphenyl)methyl)-2-piperidinone
CID 9865375
Rubemamine
CID 1042026
Cilobradine
CID 9869877
N-Methylhomoveratrylamine
CID 77039

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide (CID 2478929) is N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCC2CCCCC2)cc1OC.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ROQRFIWPRPEFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-9-8-14(10-16(15)21-2)11-17(19)18-12-13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2478929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).