N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide

C18H26N4O3 — CID 119838058

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(c1cc(OC)cc(OC)c1)c1nccn1C
InChIInChI=1S/C18H26N4O3/c1-12(11-19-2)18(23)21-16(17-20-6-7-22(17)3)13-8-14(24-4)10-15(9-13)25-5/h6-10,12,16,19H,11H2,1-5H3,(H,21,23)
InChIKeyPHPHJYJIFXUDBK-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.50
Rot. Bonds8

About N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119838058) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119838058
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(c1cc(OC)cc(OC)c1)c1nccn1C
InChIInChI=1S/C18H26N4O3/c1-12(11-19-2)18(23)21-16(17-20-6-7-22(17)3)13-8-14(24-4)10-15(9-13)25-5/h6-10,12,16,19H,11H2,1-5H3,(H,21,23)
InChIKeyPHPHJYJIFXUDBK-UHFFFAOYSA-N
XLogP1.50
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564382
1-[(3,5-dimethoxyphenyl)methyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55910496
tert-butyl N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamate
CID 95318789
2-(3-chlorophenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55456727
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55942208
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015013
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide (CID 119838058) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC(c1cc(OC)cc(OC)c1)c1nccn1C.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is PHPHJYJIFXUDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(11-19-2)18(23)21-16(17-20-6-7-22(17)3)13-8-14(24-4)10-15(9-13)25-5/h6-10,12,16,19H,11H2,1-5H3,(H,21,23).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 346.43 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119838058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).