5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide

C17H28N2O — CID 102705085

IUPAC5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide
SMILESCc1cc(C)c(C(=O)N(CC(C)C)CC(C)C)cc1N
InChIInChI=1S/C17H28N2O/c1-11(2)9-19(10-12(3)4)17(20)15-8-16(18)14(6)7-13(15)5/h7-8,11-12H,9-10,18H2,1-6H3
InChIKeyNNZLAOPOIFTNNF-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.64
Rot. Bonds5

About 5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide

5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide (PubChem CID 102705085) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide
PubChem CID102705085
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide
SMILESCc1cc(C)c(C(=O)N(CC(C)C)CC(C)C)cc1N
InChIInChI=1S/C17H28N2O/c1-11(2)9-19(10-12(3)4)17(20)15-8-16(18)14(6)7-13(15)5/h7-8,11-12H,9-10,18H2,1-6H3
InChIKeyNNZLAOPOIFTNNF-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.64
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-methoxyethyl)-2,4-dimethyl-N-(2-methylpropyl)benzamide
CID 102705195
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
2-amino-5-hydroxy-N,N-bis(2-methylpropyl)benzamide
CID 107074162
5-amino-N-(2-cyanopropyl)-N,2,4-trimethylbenzamide
CID 102705252
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,4-dimethylbenzamide
CID 102705204
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide
CID 102705072
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide
CID 102705822
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide (CID 102705085) is 5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide is Cc1cc(C)c(C(=O)N(CC(C)C)CC(C)C)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is NNZLAOPOIFTNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-11(2)9-19(10-12(3)4)17(20)15-8-16(18)14(6)7-13(15)5/h7-8,11-12H,9-10,18H2,1-6H3.
What are the key properties of 5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide?
5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 276.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 102705085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).