2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide

C14H18N4O2 — CID 81420626

IUPAC2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H18N4O2/c1-20-12-5-2-4-11(15)13(12)14(19)17-6-3-8-18-9-7-16-10-18/h2,4-5,7,9-10H,3,6,8,15H2,1H3,(H,17,19)
InChIKeyBXSMGZNZLOOGHE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.29
Rot. Bonds6

About 2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide

2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide (PubChem CID 81420626) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
PubChem CID81420626
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H18N4O2/c1-20-12-5-2-4-11(15)13(12)14(19)17-6-3-8-18-9-7-16-10-18/h2,4-5,7,9-10H,3,6,8,15H2,1H3,(H,17,19)
InChIKeyBXSMGZNZLOOGHE-UHFFFAOYSA-N
XLogP1.29
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
3,6-dichloro-N-(4-imidazol-1-ylbutyl)-2-methoxybenzamide
CID 110443039
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 82152650
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide (CID 81420626) is 2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide is COc1cccc(N)c1C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide?
The InChIKey is BXSMGZNZLOOGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-12-5-2-4-11(15)13(12)14(19)17-6-3-8-18-9-7-16-10-18/h2,4-5,7,9-10H,3,6,8,15H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide?
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide is sourced from PubChem (CID 81420626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).