2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide

C17H22N4O3 — CID 58597348

IUPAC2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide
SMILESCCCCCOc1ccc(NC(=O)NC(=O)Cn2ccnc2)cc1
InChIInChI=1S/C17H22N4O3/c1-2-3-4-11-24-15-7-5-14(6-8-15)19-17(23)20-16(22)12-21-10-9-18-13-21/h5-10,13H,2-4,11-12H2,1H3,(H2,19,20,22,23)
InChIKeyGWOWSTKWRLNRED-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.80
Rot. Bonds8

About 2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide

2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide (PubChem CID 58597348) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide
PubChem CID58597348
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide
SMILESCCCCCOc1ccc(NC(=O)NC(=O)Cn2ccnc2)cc1
InChIInChI=1S/C17H22N4O3/c1-2-3-4-11-24-15-7-5-14(6-8-15)19-17(23)20-16(22)12-21-10-9-18-13-21/h5-10,13H,2-4,11-12H2,1H3,(H2,19,20,22,23)
InChIKeyGWOWSTKWRLNRED-UHFFFAOYSA-N
XLogP2.80
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)-3-methylurea
CID 127511148
6-[dimethyl-[2-oxo-2-(4-tetradecoxyanilino)ethyl]azaniumyl]hexyl-dimethyl-[2-oxo-2-(4-tetradecoxyanilino)ethyl]azanium
CID 175685561
N-(4-decoxyphenyl)butanamide
CID 143303175
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
CID 62329039
[2-(4-hexadecoxyanilino)-2-oxoethyl]-[4-[[2-(4-hexadecoxyanilino)-2-oxoethyl]-dimethylazaniumyl]butyl]-dimethylazanium dibromide
CID 175685699
6-[4-(4-imidazol-1-ylbutanoylamino)phenoxy]-2,2-dimethylhexanoic acid
CID 13422045
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
1-(4-butoxyphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 118784639
1-(4-decoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 5217676
N-(4-butoxyphenyl)butanamide
CID 4939679

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide (CID 58597348) is 2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide is CCCCCOc1ccc(NC(=O)NC(=O)Cn2ccnc2)cc1.
What is the InChIKey of 2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide?
The InChIKey is GWOWSTKWRLNRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-3-4-11-24-15-7-5-14(6-8-15)19-17(23)20-16(22)12-21-10-9-18-13-21/h5-10,13H,2-4,11-12H2,1H3,(H2,19,20,22,23).
What are the key properties of 2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide?
2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(4-pentoxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 58597348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).