N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide

C20H31N3O4 — CID 8583881

IUPACN-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1ccc(CCN(C)CC(=O)NC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-23(12-11-15-9-10-17(26-2)18(13-15)27-3)14-19(24)22-20(25)21-16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12,14H2,1-3H3,(H2,21,22,24,25)
InChIKeyUQIGUQPHISJXLR-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.34
Rot. Bonds8

About N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide

N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide (PubChem CID 8583881) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
PubChem CID8583881
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC NameN-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1ccc(CCN(C)CC(=O)NC(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-23(12-11-15-9-10-17(26-2)18(13-15)27-3)14-19(24)22-20(25)21-16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12,14H2,1-3H3,(H2,21,22,24,25)
InChIKeyUQIGUQPHISJXLR-UHFFFAOYSA-N
XLogP2.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]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

2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 8583865
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 8583895
N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152523
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8583890
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-(cyclopentylcarbamoyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8551255
N-(5-chloro-2-methoxyphenyl)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 8001433
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152518
2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide
CID 9040584
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide (CID 8583881) is N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide is COc1ccc(CCN(C)CC(=O)NC(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
The InChIKey is UQIGUQPHISJXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-23(12-11-15-9-10-17(26-2)18(13-15)27-3)14-19(24)22-20(25)21-16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12,14H2,1-3H3,(H2,21,22,24,25).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide has a molecular weight of 377.49 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 8583881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).