4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide

C16H20N4O3 — CID 23187291

IUPAC4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide
SMILESCCCNC(=O)c1[nH]cnc1NC(=O)c1ccccc1OCC
InChIInChI=1S/C16H20N4O3/c1-3-9-17-16(22)13-14(19-10-18-13)20-15(21)11-7-5-6-8-12(11)23-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyYWAUQFLFFRWYIU-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.20
Rot. Bonds7

About 4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide

4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide (PubChem CID 23187291) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide
PubChem CID23187291
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide
SMILESCCCNC(=O)c1[nH]cnc1NC(=O)c1ccccc1OCC
InChIInChI=1S/C16H20N4O3/c1-3-9-17-16(22)13-14(19-10-18-13)20-15(21)11-7-5-6-8-12(11)23-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)
InChIKeyYWAUQFLFFRWYIU-UHFFFAOYSA-N
XLogP2.20
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-propoxy-N-propylbenzamide
CID 58831728
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide
CID 70092465
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(1H-imidazol-2-yl)benzamide
CID 60967218
N-(2-ethoxyphenyl)-1H-benzimidazole-4-carboxamide
CID 110700925
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide (CID 23187291) is 4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide is CCCNC(=O)c1[nH]cnc1NC(=O)c1ccccc1OCC.
What is the InChIKey of 4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide?
The InChIKey is YWAUQFLFFRWYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-9-17-16(22)13-14(19-10-18-13)20-15(21)11-7-5-6-8-12(11)23-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,22)(H,18,19)(H,20,21).
What are the key properties of 4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide?
4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 23187291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).