3-amino-4-(4,4-dimethylazepan-1-yl)benzamide

C15H23N3O — CID 65283334

IUPAC3-amino-4-(4,4-dimethylazepan-1-yl)benzamide
SMILESCC1(C)CCCN(c2ccc(C(N)=O)cc2N)CC1
InChIInChI=1S/C15H23N3O/c1-15(2)6-3-8-18(9-7-15)13-5-4-11(14(17)19)10-12(13)16/h4-5,10H,3,6-9,16H2,1-2H3,(H2,17,19)
InChIKeyRHFQTRIVHITYGF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.38
Rot. Bonds2

About 3-amino-4-(4,4-dimethylazepan-1-yl)benzamide

3-amino-4-(4,4-dimethylazepan-1-yl)benzamide (PubChem CID 65283334) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-4-(4,4-dimethylazepan-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-(4,4-dimethylazepan-1-yl)benzamide
PubChem CID65283334
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-4-(4,4-dimethylazepan-1-yl)benzamide
SMILESCC1(C)CCCN(c2ccc(C(N)=O)cc2N)CC1
InChIInChI=1S/C15H23N3O/c1-15(2)6-3-8-18(9-7-15)13-5-4-11(14(17)19)10-12(13)16/h4-5,10H,3,6-9,16H2,1-2H3,(H2,17,19)
InChIKeyRHFQTRIVHITYGF-UHFFFAOYSA-N
XLogP2.38
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.38
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

3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide
CID 63160333
4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide
CID 63356536
3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
CID 102742749
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide
CID 63356660
3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide
CID 100633877
3-amino-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 103530522
4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
(3-amino-4-pyrrolidin-1-ylphenyl)-(3,4-dimethylphenyl)methanone
CID 39403757
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 64571235
4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380
4-(4,4-dimethylazepan-1-yl)-N-methyl-3-nitrobenzamide
CID 133323339

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4,4-dimethylazepan-1-yl)benzamide?
The IUPAC name of 3-amino-4-(4,4-dimethylazepan-1-yl)benzamide (CID 65283334) is 3-amino-4-(4,4-dimethylazepan-1-yl)benzamide.
What is the SMILES notation for 3-amino-4-(4,4-dimethylazepan-1-yl)benzamide?
The canonical SMILES for 3-amino-4-(4,4-dimethylazepan-1-yl)benzamide is CC1(C)CCCN(c2ccc(C(N)=O)cc2N)CC1.
What is the InChIKey of 3-amino-4-(4,4-dimethylazepan-1-yl)benzamide?
The InChIKey is RHFQTRIVHITYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)6-3-8-18(9-7-15)13-5-4-11(14(17)19)10-12(13)16/h4-5,10H,3,6-9,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-4-(4,4-dimethylazepan-1-yl)benzamide?
3-amino-4-(4,4-dimethylazepan-1-yl)benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4,4-dimethylazepan-1-yl)benzamide is sourced from PubChem (CID 65283334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).