N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

C21H27N3O4 — CID 18168183

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CNC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C21H27N3O4/c1-14-5-7-16(8-6-14)12-22-21(26)23-13-20(25)24-15(2)18-11-17(27-3)9-10-19(18)28-4/h5-11,15H,12-13H2,1-4H3,(H,24,25)(H2,22,23,26)
InChIKeyGETKZYXLTLTYLI-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.69
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (PubChem CID 18168183) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
PubChem CID18168183
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CNC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C21H27N3O4/c1-14-5-7-16(8-6-14)12-22-21(26)23-13-20(25)24-15(2)18-11-17(27-3)9-10-19(18)28-4/h5-11,15H,12-13H2,1-4H3,(H,24,25)(H2,22,23,26)
InChIKeyGETKZYXLTLTYLI-UHFFFAOYSA-N
XLogP2.69
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]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-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 51245605
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
4-[[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122017293
N-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9477584
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 31751278
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24609586
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
CID 60597911
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8786234
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272702

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (CID 18168183) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is COc1ccc(OC)c(C(C)NC(=O)CNC(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The InChIKey is GETKZYXLTLTYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-5-7-16(8-6-14)12-22-21(26)23-13-20(25)24-15(2)18-11-17(27-3)9-10-19(18)28-4/h5-11,15H,12-13H2,1-4H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 18168183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).