4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide

C13H21N3O — CID 63361212

IUPAC4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
SMILESCCC(C)Nc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C13H21N3O/c1-5-9(2)15-12-8-10(6-7-11(12)14)13(17)16(3)4/h6-9,15H,5,14H2,1-4H3
InChIKeyPCQWCXCVDZVXJU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.18
Rot. Bonds4

About 4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide

4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide (PubChem CID 63361212) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
PubChem CID63361212
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
SMILESCCC(C)Nc1cc(C(=O)N(C)C)ccc1N
InChIInChI=1S/C13H21N3O/c1-5-9(2)15-12-8-10(6-7-11(12)14)13(17)16(3)4/h6-9,15H,5,14H2,1-4H3
InChIKeyPCQWCXCVDZVXJU-UHFFFAOYSA-N
XLogP2.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.18
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-3-[1-(diethylamino)propan-2-ylamino]-N,N-dimethylbenzamide
CID 63358713
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N,N-dimethylbenzamide
CID 63360672
4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide
CID 63994246
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
methyl 2-[2-amino-5-(dimethylcarbamoyl)anilino]-3-methylbutanoate
CID 63358400
3-amino-4-[4-(dimethylamino)butan-2-ylamino]-N,N-dimethylbenzamide
CID 82992217
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
3-amino-4-(4-methoxybutan-2-ylamino)-N,N-dimethylbenzamide
CID 82990775
2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide
CID 140538473
4-amino-N,N-dimethyl-3-[methyl(2-methylpropyl)amino]benzamide
CID 63360739
N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 43783525
3-amino-4-[1-(dimethylamino)propan-2-ylamino]-N,N-diethylbenzamide
CID 22181380

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide (CID 63361212) is 4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide is CCC(C)Nc1cc(C(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide?
The InChIKey is PCQWCXCVDZVXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-9(2)15-12-8-10(6-7-11(12)14)13(17)16(3)4/h6-9,15H,5,14H2,1-4H3.
What are the key properties of 4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide?
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 63361212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).