2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide

C16H25N3O2 — CID 61241340

IUPAC2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCCN2CCCCCC2)c1
InChIInChI=1S/C16H25N3O2/c1-21-13-6-7-15(17)14(12-13)16(20)18-8-11-19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11,17H2,1H3,(H,18,20)
InChIKeyGKIFAOOUKCANPN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.88
Rot. Bonds5

About 2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide

2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide (PubChem CID 61241340) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
PubChem CID61241340
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCCN2CCCCCC2)c1
InChIInChI=1S/C16H25N3O2/c1-21-13-6-7-15(17)14(12-13)16(20)18-8-11-19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11,17H2,1H3,(H,18,20)
InChIKeyGKIFAOOUKCANPN-UHFFFAOYSA-N
XLogP1.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-5-methoxy-N-piperidin-1-ylbenzamide
CID 83013031
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
CID 79723555
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
2-amino-4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79713946
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide?
The IUPAC name of 2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide (CID 61241340) is 2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide is COc1ccc(N)c(C(=O)NCCN2CCCCCC2)c1.
What is the InChIKey of 2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide?
The InChIKey is GKIFAOOUKCANPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-13-6-7-15(17)14(12-13)16(20)18-8-11-19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide?
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide has a molecular weight of 291.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide is sourced from PubChem (CID 61241340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).