3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride

C15H25Cl2N3O — CID 119842100

IUPAC3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C15H23N3O.2ClH/c16-10-9-15(19)17-13-7-3-4-8-14(13)18-11-5-1-2-6-12-18;;/h3-4,7-8H,1-2,5-6,9-12,16H2,(H,17,19);2*1H
InChIKeyVVBRCYARAVBLPN-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.20
Rot. Bonds4

About 3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride

3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride (PubChem CID 119842100) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
PubChem CID119842100
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C15H23N3O.2ClH/c16-10-9-15(19)17-13-7-3-4-8-14(13)18-11-5-1-2-6-12-18;;/h3-4,7-8H,1-2,5-6,9-12,16H2,(H,17,19);2*1H
InChIKeyVVBRCYARAVBLPN-UHFFFAOYSA-N
XLogP3.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119828044
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5-hydroxy-N-(2-piperidin-1-ylphenyl)pentanamide
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N-(2-piperidin-1-ylphenyl)propanamide
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5-chloro-N-(2-piperidin-1-ylphenyl)pentanamide
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5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
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2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
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3-(2-fluorophenoxy)-N-(2-piperidin-1-ylphenyl)propanamide
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4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
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2-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
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CID 30583413

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride (CID 119842100) is 3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride is Cl.Cl.NCCC(=O)Nc1ccccc1N1CCCCCC1.
What is the InChIKey of 3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride?
The InChIKey is VVBRCYARAVBLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c16-10-9-15(19)17-13-7-3-4-8-14(13)18-11-5-1-2-6-12-18;;/h3-4,7-8H,1-2,5-6,9-12,16H2,(H,17,19);2*1H.
What are the key properties of 3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride?
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119842100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).