4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide

C17H27N3O — CID 65283667

IUPAC4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1N1CCCC(C)(C)CC1
InChIInChI=1S/C17H27N3O/c1-4-19-16(21)14-7-6-13(18)12-15(14)20-10-5-8-17(2,3)9-11-20/h6-7,12H,4-5,8-11,18H2,1-3H3,(H,19,21)
InChIKeyMPBSOXFFXWAFJI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.04
Rot. Bonds3

About 4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide

4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide (PubChem CID 65283667) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide
PubChem CID65283667
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1N1CCCC(C)(C)CC1
InChIInChI=1S/C17H27N3O/c1-4-19-16(21)14-7-6-13(18)12-15(14)20-10-5-8-17(2,3)9-11-20/h6-7,12H,4-5,8-11,18H2,1-3H3,(H,19,21)
InChIKeyMPBSOXFFXWAFJI-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.04
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

4-amino-N-ethyl-2-(3-methoxypiperidin-1-yl)benzamide
CID 102955746
5-amino-N-ethyl-2-piperidin-1-ylbenzamide
CID 100651237
4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955449
4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 81205850
methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)benzoate
CID 62932235
4-amino-2-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylbenzamide
CID 107452988
3-(difluoromethyl)-4-(4,4-dimethylazepan-1-yl)aniline
CID 65283617
ethyl 5-amino-2-(4-hydroxy-4-methylazepan-1-yl)benzoate
CID 107407268
3-amino-4-(4,4-dimethylazepan-1-yl)benzamide
CID 65283334
1-[4-bromo-2-(3,3-dimethylpiperidin-1-yl)phenyl]ethanone
CID 82967138
4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide
CID 107390559
ethyl 2-amino-5-(4,4-dimethylazepan-1-yl)benzoate
CID 65286422

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide?
The IUPAC name of 4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide (CID 65283667) is 4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide?
The canonical SMILES for 4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(N)cc1N1CCCC(C)(C)CC1.
What is the InChIKey of 4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide?
The InChIKey is MPBSOXFFXWAFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-19-16(21)14-7-6-13(18)12-15(14)20-10-5-8-17(2,3)9-11-20/h6-7,12H,4-5,8-11,18H2,1-3H3,(H,19,21).
What are the key properties of 4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide?
4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide is sourced from PubChem (CID 65283667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).