[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate

C19H25N3O4 — CID 55503576

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
SMILESCC1CCC(NC(=O)COC(=O)Cn2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C19H25N3O4/c1-13-7-9-14(10-8-13)20-17(23)12-26-18(24)11-22-16-6-4-3-5-15(16)21(2)19(22)25/h3-6,13-14H,7-12H2,1-2H3,(H,20,23)
InChIKeyFGZQDEYEFFESNS-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.58
Rot. Bonds5

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate (PubChem CID 55503576) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
PubChem CID55503576
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
SMILESCC1CCC(NC(=O)COC(=O)Cn2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C19H25N3O4/c1-13-7-9-14(10-8-13)20-17(23)12-26-18(24)11-22-16-6-4-3-5-15(16)21(2)19(22)25/h3-6,13-14H,7-12H2,1-2H3,(H,20,23)
InChIKeyFGZQDEYEFFESNS-UHFFFAOYSA-N
XLogP1.58
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 18121435
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 55503709
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
CID 119388164
2-[4-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24629861
[2-(cyclopropylamino)-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133796
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805429
1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 16543862
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880469
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate (CID 55503576) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate is CC1CCC(NC(=O)COC(=O)Cn2c(=O)n(C)c3ccccc32)CC1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate?
The InChIKey is FGZQDEYEFFESNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-7-9-14(10-8-13)20-17(23)12-26-18(24)11-22-16-6-4-3-5-15(16)21(2)19(22)25/h3-6,13-14H,7-12H2,1-2H3,(H,20,23).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate has a molecular weight of 359.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate is sourced from PubChem (CID 55503576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).