N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

C21H28N4O2 — CID 146131196

IUPACN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1cnc2c1CCCC2
InChIInChI=1S/C21H28N4O2/c1-3-12-24(13-20(26)23-17-9-5-4-8-16(17)2)21(27)14-25-15-22-18-10-6-7-11-19(18)25/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,23,26)
InChIKeyAOIXGTQFKDPDDI-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (PubChem CID 146131196) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
PubChem CID146131196
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1cnc2c1CCCC2
InChIInChI=1S/C21H28N4O2/c1-3-12-24(13-20(26)23-17-9-5-4-8-16(17)2)21(27)14-25-15-22-18-10-6-7-11-19(18)25/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,23,26)
InChIKeyAOIXGTQFKDPDDI-UHFFFAOYSA-N
XLogP2.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide with MolForge

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Related Compounds

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 24524251
N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-phenyl-1,4-diazepan-1-yl)-N-propylacetamide
CID 112841143
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115963996
2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 112800275
2-[[2-(2-ethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 55327341
2-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 42374590
N-[2-(2-methylanilino)-2-oxoethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-propylacetamide
CID 112840661
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
2-[[2-(4-fluorophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38680702

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (CID 146131196) is N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1cnc2c1CCCC2.
What is the InChIKey of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The InChIKey is AOIXGTQFKDPDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-12-24(13-20(26)23-17-9-5-4-8-16(17)2)21(27)14-25-15-22-18-10-6-7-11-19(18)25/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 146131196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).