N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide

C19H26N4O3 — CID 135090545

IUPACN-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide
SMILESCCc1ccccc1NC(=O)CCC(=O)N(CCO)Cc1cnc(C)[nH]1
InChIInChI=1S/C19H26N4O3/c1-3-15-6-4-5-7-17(15)22-18(25)8-9-19(26)23(10-11-24)13-16-12-20-14(2)21-16/h4-7,12,24H,3,8-11,13H2,1-2H3,(H,20,21)(H,22,25)
InChIKeyGNNLWEOTJATLTL-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.02
Rot. Bonds9

About N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide

N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide (PubChem CID 135090545) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide
PubChem CID135090545
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide
SMILESCCc1ccccc1NC(=O)CCC(=O)N(CCO)Cc1cnc(C)[nH]1
InChIInChI=1S/C19H26N4O3/c1-3-15-6-4-5-7-17(15)22-18(25)8-9-19(26)23(10-11-24)13-16-12-20-14(2)21-16/h4-7,12,24H,3,8-11,13H2,1-2H3,(H,20,21)(H,22,25)
InChIKeyGNNLWEOTJATLTL-UHFFFAOYSA-N
XLogP2.02
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]acetamide
CID 135106203
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide
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N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide
CID 91830831
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
N-[2-(2-ethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 27762226
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
N-(2-aminophenyl)-N',N'-dipropylbutanediamide
CID 119421937
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119421936

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide?
The IUPAC name of N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide (CID 135090545) is N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide is CCc1ccccc1NC(=O)CCC(=O)N(CCO)Cc1cnc(C)[nH]1.
What is the InChIKey of N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide?
The InChIKey is GNNLWEOTJATLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-15-6-4-5-7-17(15)22-18(25)8-9-19(26)23(10-11-24)13-16-12-20-14(2)21-16/h4-7,12,24H,3,8-11,13H2,1-2H3,(H,20,21)(H,22,25).
What are the key properties of N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide?
N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide has a molecular weight of 358.44 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-(2-hydroxyethyl)-N'-[(2-methyl-1H-imidazol-5-yl)methyl]butanediamide is sourced from PubChem (CID 135090545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).