N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide

C16H26N2O2 — CID 79386429

IUPACN-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)N(CC)CC(C)(C)O)cc1C
InChIInChI=1S/C16H26N2O2/c1-6-17-14-9-8-13(10-12(14)3)15(19)18(7-2)11-16(4,5)20/h8-10,17,20H,6-7,11H2,1-5H3
InChIKeyNCPMIFSYCOFSMS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.66
Rot. Bonds6

About N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide

N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide (PubChem CID 79386429) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
PubChem CID79386429
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
SMILESCCNc1ccc(C(=O)N(CC)CC(C)(C)O)cc1C
InChIInChI=1S/C16H26N2O2/c1-6-17-14-9-8-13(10-12(14)3)15(19)18(7-2)11-16(4,5)20/h8-10,17,20H,6-7,11H2,1-5H3
InChIKeyNCPMIFSYCOFSMS-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 63214137
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide
CID 106937429
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
N-cyclopropyl-4-(ethylamino)-3-methyl-N-propylbenzamide
CID 63210133
4-(ethylamino)-N,3-dimethyl-N-pyridin-4-ylbenzamide
CID 106937157
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999143
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-4-nitrobenzamide
CID 79378491
4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384782
4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79558034
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide?
The IUPAC name of N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide (CID 79386429) is N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide.
What is the SMILES notation for N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide?
The canonical SMILES for N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide is CCNc1ccc(C(=O)N(CC)CC(C)(C)O)cc1C.
What is the InChIKey of N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide?
The InChIKey is NCPMIFSYCOFSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-17-14-9-8-13(10-12(14)3)15(19)18(7-2)11-16(4,5)20/h8-10,17,20H,6-7,11H2,1-5H3.
What are the key properties of N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide?
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide is sourced from PubChem (CID 79386429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).