2-amino-3-(2-methylazepan-1-yl)benzamide

C14H21N3O — CID 113333036

IUPAC2-amino-3-(2-methylazepan-1-yl)benzamide
SMILESCC1CCCCCN1c1cccc(C(N)=O)c1N
InChIInChI=1S/C14H21N3O/c1-10-6-3-2-4-9-17(10)12-8-5-7-11(13(12)15)14(16)18/h5,7-8,10H,2-4,6,9,15H2,1H3,(H2,16,18)
InChIKeyBMEKGNWVXMEIOL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds2

About 2-amino-3-(2-methylazepan-1-yl)benzamide

2-amino-3-(2-methylazepan-1-yl)benzamide (PubChem CID 113333036) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-3-(2-methylazepan-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-(2-methylazepan-1-yl)benzamide
PubChem CID113333036
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-3-(2-methylazepan-1-yl)benzamide
SMILESCC1CCCCCN1c1cccc(C(N)=O)c1N
InChIInChI=1S/C14H21N3O/c1-10-6-3-2-4-9-17(10)12-8-5-7-11(13(12)15)14(16)18/h5,7-8,10H,2-4,6,9,15H2,1H3,(H2,16,18)
InChIKeyBMEKGNWVXMEIOL-UHFFFAOYSA-N
XLogP2.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-methylpyrrolidin-1-yl)benzoic acid
CID 115544084
ethyl 2-amino-3-(2-methylpyrrolidin-1-yl)benzoate
CID 115544087
2-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 115545034
1-[2-(2-methylazepan-1-yl)phenyl]propan-1-one
CID 112677458
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-aminobenzamide
CID 115545609
ethyl 2-amino-3-(2-ethylazepan-1-yl)benzoate
CID 104691272
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-aminobenzoic acid
CID 115544942
2-amino-3-(2-cyclopentylpyrrolidin-1-yl)benzoic acid
CID 115545694
1-(2,3-dibromophenyl)-2-methylpiperidine
CID 118878859
3-methyl-2-(2-methylpiperidin-1-yl)benzoic acid
CID 107112011
3-bromo-4-(2-methylpiperidin-1-yl)benzamide
CID 169336360
2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide
CID 106673191

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylazepan-1-yl)benzamide?
The IUPAC name of 2-amino-3-(2-methylazepan-1-yl)benzamide (CID 113333036) is 2-amino-3-(2-methylazepan-1-yl)benzamide.
What is the SMILES notation for 2-amino-3-(2-methylazepan-1-yl)benzamide?
The canonical SMILES for 2-amino-3-(2-methylazepan-1-yl)benzamide is CC1CCCCCN1c1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(2-methylazepan-1-yl)benzamide?
The InChIKey is BMEKGNWVXMEIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-6-3-2-4-9-17(10)12-8-5-7-11(13(12)15)14(16)18/h5,7-8,10H,2-4,6,9,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-3-(2-methylazepan-1-yl)benzamide?
2-amino-3-(2-methylazepan-1-yl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylazepan-1-yl)benzamide is sourced from PubChem (CID 113333036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).