N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide

C21H27N3O3 — CID 118762164

IUPACN-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)NCCCc2ccccc2OC)c1
InChIInChI=1S/C21H27N3O3/c1-4-22-20(25)17-12-11-15(2)18(14-17)24-21(26)23-13-7-9-16-8-5-6-10-19(16)27-3/h5-6,8,10-12,14H,4,7,9,13H2,1-3H3,(H,22,25)(H2,23,24,26)
InChIKeyBMXZWBDGGNUPJR-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.51
Rot. Bonds8

About N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide

N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide (PubChem CID 118762164) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide
PubChem CID118762164
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)NCCCc2ccccc2OC)c1
InChIInChI=1S/C21H27N3O3/c1-4-22-20(25)17-12-11-15(2)18(14-17)24-21(26)23-13-7-9-16-8-5-6-10-19(16)27-3/h5-6,8,10-12,14H,4,7,9,13H2,1-3H3,(H,22,25)(H2,23,24,26)
InChIKeyBMXZWBDGGNUPJR-UHFFFAOYSA-N
XLogP3.51
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[3-(2-methoxyphenyl)propylcarbamothioylamino]-4-methylbenzoate
CID 100675246
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
3,4-dimethyl-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100532843
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-methoxy-4-methylbenzamide
CID 136533897
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963232
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
3-benzamido-N-[(2,3-dimethoxyphenyl)methyl]-4-methylbenzamide
CID 46410283
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
1-tert-butyl-3-[4-(2-methoxyphenyl)butyl]urea
CID 110661390

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide?
The IUPAC name of N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide (CID 118762164) is N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide.
What is the SMILES notation for N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide?
The canonical SMILES for N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)NCCCc2ccccc2OC)c1.
What is the InChIKey of N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide?
The InChIKey is BMXZWBDGGNUPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-22-20(25)17-12-11-15(2)18(14-17)24-21(26)23-13-7-9-16-8-5-6-10-19(16)27-3/h5-6,8,10-12,14H,4,7,9,13H2,1-3H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide?
N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(2-methoxyphenyl)propylcarbamoylamino]-4-methylbenzamide is sourced from PubChem (CID 118762164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).