2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide

C15H25N3O — CID 55082851

IUPAC2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC(CN(C)C)C(C)C)c1
InChIInChI=1S/C15H25N3O/c1-10(2)14(9-18(4)5)17-15(19)12-8-11(3)6-7-13(12)16/h6-8,10,14H,9,16H2,1-5H3,(H,17,19)
InChIKeyBECQSGNWMYPWHS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.89
Rot. Bonds5

About 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide

2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide (PubChem CID 55082851) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
PubChem CID55082851
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC(CN(C)C)C(C)C)c1
InChIInChI=1S/C15H25N3O/c1-10(2)14(9-18(4)5)17-15(19)12-8-11(3)6-7-13(12)16/h6-8,10,14H,9,16H2,1-5H3,(H,17,19)
InChIKeyBECQSGNWMYPWHS-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.89
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

5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-nitrobenzamide
CID 62159589
2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62159754
2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide
CID 113375955
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707
N-(1-amino-3-methylbutan-2-yl)-2-bromo-5-methylbenzamide
CID 81111788
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide
CID 107025299
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide
CID 61476608
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
CID 113491855
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 81110423

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide (CID 55082851) is 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide is Cc1ccc(N)c(C(=O)NC(CN(C)C)C(C)C)c1.
What is the InChIKey of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide?
The InChIKey is BECQSGNWMYPWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)14(9-18(4)5)17-15(19)12-8-11(3)6-7-13(12)16/h6-8,10,14H,9,16H2,1-5H3,(H,17,19).
What are the key properties of 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide?
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide is sourced from PubChem (CID 55082851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).