N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide

C28H30N4O4 — CID 154859119

IUPACN-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1OCC
InChIInChI=1S/C28H30N4O4/c1-3-35-25-13-12-22(15-26(25)36-4-2)28(34)30-17-27(33)29-16-20-8-7-9-21(14-20)18-32-19-31-23-10-5-6-11-24(23)32/h5-15,19H,3-4,16-18H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyOHSVECMKQXYJFE-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.93
Rot. Bonds11

About N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 154859119) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID154859119
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1OCC
InChIInChI=1S/C28H30N4O4/c1-3-35-25-13-12-22(15-26(25)36-4-2)28(34)30-17-27(33)29-16-20-8-7-9-21(14-20)18-32-19-31-23-10-5-6-11-24(23)32/h5-15,19H,3-4,16-18H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyOHSVECMKQXYJFE-UHFFFAOYSA-N
XLogP3.93
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide 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

N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide
CID 155536361
4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119862887
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 35955494
N-(benzimidazol-1-yl)-3,4-diethoxybenzamide
CID 24535717
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
CID 60602251
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014574
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862872
N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
CID 51221897

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide (CID 154859119) is N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1OCC.
What is the InChIKey of N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is OHSVECMKQXYJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-3-35-25-13-12-22(15-26(25)36-4-2)28(34)30-17-27(33)29-16-20-8-7-9-21(14-20)18-32-19-31-23-10-5-6-11-24(23)32/h5-15,19H,3-4,16-18H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 486.57 g/mol, XLogP of 3.93, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 154859119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).