N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C23H29N3O3 — CID 134031392

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC(C)c2cc(C)ccc2OC)c2ccccc21
InChIInChI=1S/C23H29N3O3/c1-5-13-25-19-8-6-7-9-20(19)26(23(25)28)14-12-22(27)24-17(3)18-15-16(2)10-11-21(18)29-4/h6-11,15,17H,5,12-14H2,1-4H3,(H,24,27)
InChIKeyYFJMJYACOFTKKX-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.80
Rot. Bonds8

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

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 134031392) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID134031392
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC(C)c2cc(C)ccc2OC)c2ccccc21
InChIInChI=1S/C23H29N3O3/c1-5-13-25-19-8-6-7-9-20(19)26(23(25)28)14-12-22(27)24-17(3)18-15-16(2)10-11-21(18)29-4/h6-11,15,17H,5,12-14H2,1-4H3,(H,24,27)
InChIKeyYFJMJYACOFTKKX-UHFFFAOYSA-N
XLogP3.80
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134056639
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51246851
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18159649
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51212481
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9263905
5-cyano-5-(1,3-dimethylbenzimidazol-2-ylidene)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-oxopentanamide
CID 55523149
N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031322
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9264232

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 134031392) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)NC(C)c2cc(C)ccc2OC)c2ccccc21.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is YFJMJYACOFTKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-13-25-19-8-6-7-9-20(19)26(23(25)28)14-12-22(27)24-17(3)18-15-16(2)10-11-21(18)29-4/h6-11,15,17H,5,12-14H2,1-4H3,(H,24,27).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 134031392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).