4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide

C14H18N4O2 — CID 104782388

IUPAC4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCn2ccnc2)ccc1N
InChIInChI=1S/C14H18N4O2/c1-20-13-9-11(3-4-12(13)15)14(19)17-5-2-7-18-8-6-16-10-18/h3-4,6,8-10H,2,5,7,15H2,1H3,(H,17,19)
InChIKeyDHZJDJHTIFLWTI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.29
Rot. Bonds6

About 4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide

4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide (PubChem CID 104782388) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
PubChem CID104782388
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCn2ccnc2)ccc1N
InChIInChI=1S/C14H18N4O2/c1-20-13-9-11(3-4-12(13)15)14(19)17-5-2-7-18-8-6-16-10-18/h3-4,6,8-10H,2,5,7,15H2,1H3,(H,17,19)
InChIKeyDHZJDJHTIFLWTI-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-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21173424
4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
CID 62681162
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide (CID 104782388) is 4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide is COc1cc(C(=O)NCCCn2ccnc2)ccc1N.
What is the InChIKey of 4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide?
The InChIKey is DHZJDJHTIFLWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-13-9-11(3-4-12(13)15)14(19)17-5-2-7-18-8-6-16-10-18/h3-4,6,8-10H,2,5,7,15H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide?
4-amino-N-(3-imidazol-1-ylpropyl)-3-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 4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide is sourced from PubChem (CID 104782388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).