N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide

C17H28N2O — CID 63963788

IUPACN,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(C)C(C)(C)CC)cc1C
InChIInChI=1S/C17H28N2O/c1-7-11-18-15-10-9-14(12-13(15)3)16(20)19(6)17(4,5)8-2/h9-10,12,18H,7-8,11H2,1-6H3
InChIKeyXKJHMHPEDXGGHZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.08
Rot. Bonds6

About N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide

N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide (PubChem CID 63963788) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide
PubChem CID63963788
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)N(C)C(C)(C)CC)cc1C
InChIInChI=1S/C17H28N2O/c1-7-11-18-15-10-9-14(12-13(15)3)16(20)19(6)17(4,5)8-2/h9-10,12,18H,7-8,11H2,1-6H3
InChIKeyXKJHMHPEDXGGHZ-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
CID 63210524
N,3-dimethyl-4-(propylamino)-N-pyridin-2-ylbenzamide
CID 63210004
N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 63961442
3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
CID 83145027
N-(3-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide
CID 63213686
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366
N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82734789
4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63958933
3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103707583
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
CID 106408291
4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63213865

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide?
The IUPAC name of N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide (CID 63963788) is N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide.
What is the SMILES notation for N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide?
The canonical SMILES for N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)N(C)C(C)(C)CC)cc1C.
What is the InChIKey of N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide?
The InChIKey is XKJHMHPEDXGGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-7-11-18-15-10-9-14(12-13(15)3)16(20)19(6)17(4,5)8-2/h9-10,12,18H,7-8,11H2,1-6H3.
What are the key properties of N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide?
N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide has a molecular weight of 276.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide is sourced from PubChem (CID 63963788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).