N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride

C15H24ClN3O — CID 120704662

IUPACN-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(N2CCCCCC2)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-16-12-15(19)17-13-7-6-8-14(11-13)18-9-4-2-3-5-10-18;/h6-8,11,16H,2-5,9-10,12H2,1H3,(H,17,19);1H
InChIKeyUDLIIPDNPJZDAF-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.65
Rot. Bonds4

About N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride

N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 120704662) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID120704662
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(N2CCCCCC2)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-16-12-15(19)17-13-7-6-8-14(11-13)18-9-4-2-3-5-10-18;/h6-8,11,16H,2-5,9-10,12H2,1H3,(H,17,19);1H
InChIKeyUDLIIPDNPJZDAF-UHFFFAOYSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119892181
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 110667684
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride (CID 120704662) is N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)Nc1cccc(N2CCCCCC2)c1.Cl.
What is the InChIKey of N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is UDLIIPDNPJZDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-16-12-15(19)17-13-7-6-8-14(11-13)18-9-4-2-3-5-10-18;/h6-8,11,16H,2-5,9-10,12H2,1H3,(H,17,19);1H.
What are the key properties of N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride?
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 120704662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).