N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide

C17H28N2O — CID 79667849

IUPACN-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H28N2O/c1-6-9-19(12-17(4,5)11-18)16(20)15-8-7-13(2)10-14(15)3/h7-8,10H,6,9,11-12,18H2,1-5H3
InChIKeyJPEHXIXXFPKCPO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.14
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide

N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide (PubChem CID 79667849) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
PubChem CID79667849
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide
SMILESCCCN(CC(C)(C)CN)C(=O)c1ccc(C)cc1C
InChIInChI=1S/C17H28N2O/c1-6-9-19(12-17(4,5)11-18)16(20)15-8-7-13(2)10-14(15)3/h7-8,10H,6,9,11-12,18H2,1-5H3
InChIKeyJPEHXIXXFPKCPO-UHFFFAOYSA-N
XLogP3.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
N-(3-amino-2,2-dimethylpropyl)-4-hydroxy-3-methyl-N-propylbenzamide
CID 107672177
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115299448
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 79667751
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
N-(3-amino-2,2-dimethylpropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 79668674
N-(3-amino-2,2-dimethylpropyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82878831
2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide (CID 79667849) is N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide is CCCN(CC(C)(C)CN)C(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide?
The InChIKey is JPEHXIXXFPKCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-9-19(12-17(4,5)11-18)16(20)15-8-7-13(2)10-14(15)3/h7-8,10H,6,9,11-12,18H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-2,4-dimethyl-N-propylbenzamide has a molecular weight of 276.42 g/mol, XLogP of 3.14, 6 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)-2,4-dimethyl-N-propylbenzamide is sourced from PubChem (CID 79667849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).