N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C23H29N3O4 — CID 16592921

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCOc1ccc(CCNC(=O)CCn2c(=O)n(C)c3ccccc32)cc1OCC
InChIInChI=1S/C23H29N3O4/c1-4-29-20-11-10-17(16-21(20)30-5-2)12-14-24-22(27)13-15-26-19-9-7-6-8-18(19)25(3)23(26)28/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,27)
InChIKeyRBDODTXGEYDPDL-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.89
Rot. Bonds10

About N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 16592921) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID16592921
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCOc1ccc(CCNC(=O)CCn2c(=O)n(C)c3ccccc32)cc1OCC
InChIInChI=1S/C23H29N3O4/c1-4-29-20-11-10-17(16-21(20)30-5-2)12-14-24-22(27)13-15-26-19-9-7-6-8-18(19)25(3)23(26)28/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,27)
InChIKeyRBDODTXGEYDPDL-UHFFFAOYSA-N
XLogP2.89
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
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N-[2-(3,4-diethoxyphenyl)ethyl]-3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 46274023
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N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
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3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
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N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
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2-[3-[2-(3,4-diethoxyphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492161
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3585140
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 16592921) is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is CCOc1ccc(CCNC(=O)CCn2c(=O)n(C)c3ccccc32)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is RBDODTXGEYDPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-29-20-11-10-17(16-21(20)30-5-2)12-14-24-22(27)13-15-26-19-9-7-6-8-18(19)25(3)23(26)28/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 411.50 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 16592921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).