N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C20H24N4O2 — CID 78886341

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCN(CCNC(=O)Cn1c(=O)[nH]c2ccccc21)c1cccc(C)c1
InChIInChI=1S/C20H24N4O2/c1-3-23(16-8-6-7-15(2)13-16)12-11-21-19(25)14-24-18-10-5-4-9-17(18)22-20(24)26/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySTGPJRFIUMYRQC-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.28
Rot. Bonds7

About N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 78886341) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID78886341
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCN(CCNC(=O)Cn1c(=O)[nH]c2ccccc21)c1cccc(C)c1
InChIInChI=1S/C20H24N4O2/c1-3-23(16-8-6-7-15(2)13-16)12-11-21-19(25)14-24-18-10-5-4-9-17(18)22-20(24)26/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySTGPJRFIUMYRQC-UHFFFAOYSA-N
XLogP2.28
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17427622
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 46532633
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 134061330

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 78886341) is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is CCN(CCNC(=O)Cn1c(=O)[nH]c2ccccc21)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is STGPJRFIUMYRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-23(16-8-6-7-15(2)13-16)12-11-21-19(25)14-24-18-10-5-4-9-17(18)22-20(24)26/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 78886341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).