N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide

C15H20N4O2 — CID 107970800

IUPACN-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide
SMILESCOc1ccc(N(CCCN)C(=O)c2cn(C)cn2)cc1
InChIInChI=1S/C15H20N4O2/c1-18-10-14(17-11-18)15(20)19(9-3-8-16)12-4-6-13(21-2)7-5-12/h4-7,10-11H,3,8-9,16H2,1-2H3
InChIKeyGJIZYDCEEFCZBE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.42
Rot. Bonds6

About N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide

N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide (PubChem CID 107970800) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide
PubChem CID107970800
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide
SMILESCOc1ccc(N(CCCN)C(=O)c2cn(C)cn2)cc1
InChIInChI=1S/C15H20N4O2/c1-18-10-14(17-11-18)15(20)19(9-3-8-16)12-4-6-13(21-2)7-5-12/h4-7,10-11H,3,8-9,16H2,1-2H3
InChIKeyGJIZYDCEEFCZBE-UHFFFAOYSA-N
XLogP1.42
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 28767903
1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea
CID 43136229
N-(2-aminoethyl)-N-(2-methoxyethyl)-1-methylimidazole-4-carboxamide
CID 107975606
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methyl-N-phenylimidazole-4-carboxamide
CID 107974128
1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide
CID 107496849
N,1-dimethyl-N-[3-(methylamino)propyl]imidazole-4-carboxamide
CID 107971794
N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801026
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N-(2-bromophenyl)-N-butyl-1-methylimidazole-4-carboxamide
CID 10903810
N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107970866
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide
CID 107970828

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide (CID 107970800) is N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide is COc1ccc(N(CCCN)C(=O)c2cn(C)cn2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is GJIZYDCEEFCZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-10-14(17-11-18)15(20)19(9-3-8-16)12-4-6-13(21-2)7-5-12/h4-7,10-11H,3,8-9,16H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide?
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107970800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).