5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide

C16H26N2O — CID 61291739

IUPAC5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
SMILESCc1ccc(N)cc1C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H26N2O/c1-11(2)9-18(10-12(3)4)16(19)15-8-14(17)7-6-13(15)5/h6-8,11-12H,9-10,17H2,1-5H3
InChIKeyUMDCYMBSNUVVGD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.33
Rot. Bonds5

About 5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide

5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide (PubChem CID 61291739) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
PubChem CID61291739
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
SMILESCc1ccc(N)cc1C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H26N2O/c1-11(2)9-18(10-12(3)4)16(19)15-8-14(17)7-6-13(15)5/h6-8,11-12H,9-10,17H2,1-5H3
InChIKeyUMDCYMBSNUVVGD-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide
CID 102705085
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 61106628
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 103869280
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120617672
2-amino-5-hydroxy-N,N-bis(2-methylpropyl)benzamide
CID 107074162
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide (CID 61291739) is 5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide is Cc1ccc(N)cc1C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is UMDCYMBSNUVVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)9-18(10-12(3)4)16(19)15-8-14(17)7-6-13(15)5/h6-8,11-12H,9-10,17H2,1-5H3.
What are the key properties of 5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide?
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 262.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 61291739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).