4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide

C18H26N4O3 — CID 120564382

IUPAC4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCOc1cc(OC)cc(C(NC(=O)CCC(C)N)c2nccn2C)c1
InChIInChI=1S/C18H26N4O3/c1-12(19)5-6-16(23)21-17(18-20-7-8-22(18)2)13-9-14(24-3)11-15(10-13)25-4/h7-12,17H,5-6,19H2,1-4H3,(H,21,23)
InChIKeyMCZPGMYOSFXHPW-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.77
Rot. Bonds8

About 4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide

4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide (PubChem CID 120564382) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
PubChem CID120564382
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
SMILESCOc1cc(OC)cc(C(NC(=O)CCC(C)N)c2nccn2C)c1
InChIInChI=1S/C18H26N4O3/c1-12(19)5-6-16(23)21-17(18-20-7-8-22(18)2)13-9-14(24-3)11-15(10-13)25-4/h7-12,17H,5-6,19H2,1-4H3,(H,21,23)
InChIKeyMCZPGMYOSFXHPW-UHFFFAOYSA-N
XLogP1.77
TPSA91.40 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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
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-methyl-3-(methylamino)propanamide
CID 119838058
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-3-ylpropanamide
CID 18151131
3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 75897663
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-yloxypropanamide
CID 42951989
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide?
The IUPAC name of 4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide (CID 120564382) is 4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide is COc1cc(OC)cc(C(NC(=O)CCC(C)N)c2nccn2C)c1.
What is the InChIKey of 4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide?
The InChIKey is MCZPGMYOSFXHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12(19)5-6-16(23)21-17(18-20-7-8-22(18)2)13-9-14(24-3)11-15(10-13)25-4/h7-12,17H,5-6,19H2,1-4H3,(H,21,23).
What are the key properties of 4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide?
4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide has a molecular weight of 346.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 120564382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).