4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide

C14H23N3O — CID 63360740

IUPAC4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)c(N(C)CC(C)C)c1
InChIInChI=1S/C14H23N3O/c1-5-16-14(18)11-6-7-12(15)13(8-11)17(4)9-10(2)3/h6-8,10H,5,9,15H2,1-4H3,(H,16,18)
InChIKeyQCAMCWRTUCFXID-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.11
Rot. Bonds5

About 4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide

4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide (PubChem CID 63360740) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
PubChem CID63360740
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)c(N(C)CC(C)C)c1
InChIInChI=1S/C14H23N3O/c1-5-16-14(18)11-6-7-12(15)13(8-11)17(4)9-10(2)3/h6-8,10H,5,9,15H2,1-4H3,(H,16,18)
InChIKeyQCAMCWRTUCFXID-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.11
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-3-[methyl(3-methylbutyl)amino]benzamide
CID 55190535
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-ethylbenzamide
CID 55225782
2-[2-amino-5-(ethylcarbamoyl)-N-methylanilino]acetic acid
CID 55188575
4-amino-3-[2-cyanoethyl(methyl)amino]-N-ethylbenzamide
CID 55190898
4-amino-N-ethyl-3-[3-hydroxypropyl(propan-2-yl)amino]benzamide
CID 63360980
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983
4-amino-3-[butyl(ethyl)amino]-N-ethylbenzamide
CID 55190897
3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
CID 83000269
3-amino-4-[2-cyanoethyl(2-methylpropyl)amino]-N-ethylbenzamide
CID 82989899
4-amino-N-ethyl-3-(3-fluoro-N-methylanilino)benzamide
CID 63358936

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide (CID 63360740) is 4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide is CCNC(=O)c1ccc(N)c(N(C)CC(C)C)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide?
The InChIKey is QCAMCWRTUCFXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-16-14(18)11-6-7-12(15)13(8-11)17(4)9-10(2)3/h6-8,10H,5,9,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide?
4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide has a molecular weight of 249.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[methyl(2-methylpropyl)amino]benzamide is sourced from PubChem (CID 63360740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).