N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide

C15H24N2O — CID 79652780

IUPACN-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(C)CC(C)(C)CN)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-12(2)13(8-11)14(18)17(5)10-15(3,4)9-16/h6-8H,9-10,16H2,1-5H3
InChIKeySDRZWRJFZREKKI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide

N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide (PubChem CID 79652780) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
PubChem CID79652780
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(C)CC(C)(C)CN)c1
InChIInChI=1S/C15H24N2O/c1-11-6-7-12(2)13(8-11)14(18)17(5)10-15(3,4)9-16/h6-8H,9-10,16H2,1-5H3
InChIKeySDRZWRJFZREKKI-UHFFFAOYSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
4-amino-N-[(2,5-dimethylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157370
N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
CID 79667849
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
5-amino-N,2-dimethyl-N-[2-methyl-2-(4-methylphenyl)propyl]benzamide;hydrochloride
CID 120636434
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylfuran-2-carboxamide
CID 119653495
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 113265912
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119655468
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide (CID 79652780) is N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide is Cc1ccc(C)c(C(=O)N(C)CC(C)(C)CN)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide?
The InChIKey is SDRZWRJFZREKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-12(2)13(8-11)14(18)17(5)10-15(3,4)9-16/h6-8H,9-10,16H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide is sourced from PubChem (CID 79652780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).