N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide

C19H27N3O2 — CID 142920231

IUPACN,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide
SMILESCCCCCOc1ccc(-n2cnc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C19H27N3O2/c1-4-7-8-13-24-17-11-9-16(10-12-17)22-14-18(20-15-22)19(23)21(5-2)6-3/h9-12,14-15H,4-8,13H2,1-3H3
InChIKeyOMVHHDXLHRWJSN-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.92
Rot. Bonds9

About N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide

N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide (PubChem CID 142920231) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide
PubChem CID142920231
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide
SMILESCCCCCOc1ccc(-n2cnc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C19H27N3O2/c1-4-7-8-13-24-17-11-9-16(10-12-17)22-14-18(20-15-22)19(23)21(5-2)6-3/h9-12,14-15H,4-8,13H2,1-3H3
InChIKeyOMVHHDXLHRWJSN-UHFFFAOYSA-N
XLogP3.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-dipentoxybenzene
CID 18314717
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
N,N-diethyl-2-(4-hexoxyanilino)acetamide
CID 54820685
1-(4-butoxyphenyl)triazole-4-carboxylic acid
CID 82201477
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
1-hexoxy-4-pentylbenzene
CID 54277450
4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid
CID 11058060
2-(4-docosoxyphenoxy)acetic acid
CID 139839551

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide (CID 142920231) is N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide is CCCCCOc1ccc(-n2cnc(C(=O)N(CC)CC)c2)cc1.
What is the InChIKey of N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide?
The InChIKey is OMVHHDXLHRWJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-7-8-13-24-17-11-9-16(10-12-17)22-14-18(20-15-22)19(23)21(5-2)6-3/h9-12,14-15H,4-8,13H2,1-3H3.
What are the key properties of N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide?
N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(4-pentoxyphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 142920231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).