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

C14H23N3O — CID 63360739

IUPAC4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
SMILESCC(C)CN(C)c1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H23N3O/c1-10(2)9-17(5)13-8-11(6-7-12(13)15)14(18)16(3)4/h6-8,10H,9,15H2,1-5H3
InChIKeyPTQANZQSGIMEMH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.06
Rot. Bonds4

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

4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide (PubChem CID 63360739) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
PubChem CID63360739
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
SMILESCC(C)CN(C)c1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C14H23N3O/c1-10(2)9-17(5)13-8-11(6-7-12(13)15)14(18)16(3)4/h6-8,10H,9,15H2,1-5H3
InChIKeyPTQANZQSGIMEMH-UHFFFAOYSA-N
XLogP2.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
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(2-methylpropyl)amino]benzamide
CID 63360740
4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
CID 63360563
4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide
CID 63361146
4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 65343114
4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
CID 55190535
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
ethyl 4-amino-3-[methyl(3-methylbutyl)amino]benzoate
CID 82785472
4-amino-N,N-dimethyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzamide
CID 63841906
4-amino-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
CID 63358713
3-[2-hydroxypropyl(methyl)amino]-N,N-dimethyl-4-nitrobenzamide
CID 82989102
3-amino-4-[cyclopropyl(3-methylbutyl)amino]-N,N-dimethylbenzamide
CID 82992948
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide (CID 63360739) is 4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide is CC(C)CN(C)c1cc(C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide?
The InChIKey is PTQANZQSGIMEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)9-17(5)13-8-11(6-7-12(13)15)14(18)16(3)4/h6-8,10H,9,15H2,1-5H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide?
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide has a molecular weight of 249.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide is sourced from PubChem (CID 63360739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).