N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide

C16H25N3O — CID 61377294

IUPACN-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCN1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-17-15-9-5-4-8-14(15)16(20)18-10-13-19-11-6-2-3-7-12-19/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3,(H,18,20)
InChIKeyZKVBTJBWAJCUTH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.33
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide

N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide (PubChem CID 61377294) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
PubChem CID61377294
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCN1CCCCCC1
InChIInChI=1S/C16H25N3O/c1-17-15-9-5-4-8-14(15)16(20)18-10-13-19-11-6-2-3-7-12-19/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3,(H,18,20)
InChIKeyZKVBTJBWAJCUTH-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
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CID 62175413
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 123586173
N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide
CID 135273268
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide (CID 61377294) is N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide?
The InChIKey is ZKVBTJBWAJCUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-15-9-5-4-8-14(15)16(20)18-10-13-19-11-6-2-3-7-12-19/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3,(H,18,20).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide?
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide is sourced from PubChem (CID 61377294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).