2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide

C15H23N3O2 — CID 115412500

IUPAC2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCCC2)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-20-12-5-6-13(14(16)11-12)15(19)17-7-4-10-18-8-2-3-9-18/h5-6,11H,2-4,7-10,16H2,1H3,(H,17,19)
InChIKeyYZRLLOLYWRGBMS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.49
Rot. Bonds6

About 2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide

2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 115412500) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID115412500
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCCC2)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-20-12-5-6-13(14(16)11-12)15(19)17-7-4-10-18-8-2-3-9-18/h5-6,11H,2-4,7-10,16H2,1H3,(H,17,19)
InChIKeyYZRLLOLYWRGBMS-UHFFFAOYSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
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2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
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2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
CID 111429422
7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide
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2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
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5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
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CID 115413099

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 115412500) is 2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide is COc1ccc(C(=O)NCCCN2CCCC2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is YZRLLOLYWRGBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-12-5-6-13(14(16)11-12)15(19)17-7-4-10-18-8-2-3-9-18/h5-6,11H,2-4,7-10,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide?
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 115412500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).