5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide

C16H20N4O3 — CID 70092465

IUPAC5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide
SMILESCCOc1ccccc1C(=O)NCCCc1[nH]cnc1C(N)=O
InChIInChI=1S/C16H20N4O3/c1-2-23-13-8-4-3-6-11(13)16(22)18-9-5-7-12-14(15(17)21)20-10-19-12/h3-4,6,8,10H,2,5,7,9H2,1H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKeyCDWIBAFJQJTYTK-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.27
Rot. Bonds8

About 5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide

5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide (PubChem CID 70092465) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide
PubChem CID70092465
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide
SMILESCCOc1ccccc1C(=O)NCCCc1[nH]cnc1C(N)=O
InChIInChI=1S/C16H20N4O3/c1-2-23-13-8-4-3-6-11(13)16(22)18-9-5-7-12-14(15(17)21)20-10-19-12/h3-4,6,8,10H,2,5,7,9H2,1H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKeyCDWIBAFJQJTYTK-UHFFFAOYSA-N
XLogP1.27
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide
CID 22726996
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
4-[(2-ethoxybenzoyl)amino]-N-propyl-1H-imidazole-5-carboxamide
CID 23187291
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 134042472
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride
CID 119407971

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide (CID 70092465) is 5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide is CCOc1ccccc1C(=O)NCCCc1[nH]cnc1C(N)=O.
What is the InChIKey of 5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide?
The InChIKey is CDWIBAFJQJTYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-23-13-8-4-3-6-11(13)16(22)18-9-5-7-12-14(15(17)21)20-10-19-12/h3-4,6,8,10H,2,5,7,9H2,1H3,(H2,17,21)(H,18,22)(H,19,20).
What are the key properties of 5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide?
5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 70092465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).