N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C23H29N3O4 — CID 134056639

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC(C)c2cc(OC)ccc2OC)c2ccccc21
InChIInChI=1S/C23H29N3O4/c1-5-13-25-19-8-6-7-9-20(19)26(23(25)28)14-12-22(27)24-16(2)18-15-17(29-3)10-11-21(18)30-4/h6-11,15-16H,5,12-14H2,1-4H3,(H,24,27)
InChIKeyCAWNRWMMOOCYTR-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.50
Rot. Bonds9

About N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 134056639) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID134056639
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC(C)c2cc(OC)ccc2OC)c2ccccc21
InChIInChI=1S/C23H29N3O4/c1-5-13-25-19-8-6-7-9-20(19)26(23(25)28)14-12-22(27)24-16(2)18-15-17(29-3)10-11-21(18)30-4/h6-11,15-16H,5,12-14H2,1-4H3,(H,24,27)
InChIKeyCAWNRWMMOOCYTR-UHFFFAOYSA-N
XLogP3.50
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031392
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031322
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017569
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9478461
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 17023123
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 119419381
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide
CID 9477565
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 134056639) is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)NC(C)c2cc(OC)ccc2OC)c2ccccc21.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is CAWNRWMMOOCYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-5-13-25-19-8-6-7-9-20(19)26(23(25)28)14-12-22(27)24-16(2)18-15-17(29-3)10-11-21(18)30-4/h6-11,15-16H,5,12-14H2,1-4H3,(H,24,27).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 411.50 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 134056639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).