N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide

C16H26N2O2 — CID 79378834

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccccc1NC(C)C
InChIInChI=1S/C16H26N2O2/c1-6-18(11-16(4,5)20)15(19)13-9-7-8-10-14(13)17-12(2)3/h7-10,12,17,20H,6,11H2,1-5H3
InChIKeyLSVCJACJGBWRAF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.74
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide (PubChem CID 79378834) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
PubChem CID79378834
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccccc1NC(C)C
InChIInChI=1S/C16H26N2O2/c1-6-18(11-16(4,5)20)15(19)13-9-7-8-10-14(13)17-12(2)3/h7-10,12,17,20H,6,11H2,1-5H3
InChIKeyLSVCJACJGBWRAF-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide
CID 63107590
N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)benzamide
CID 107400011
N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 55177472
N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79377923
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63108556
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 115549684
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
N-ethyl-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 79469822

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide (CID 79378834) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide is CCN(CC(C)(C)O)C(=O)c1ccccc1NC(C)C.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide?
The InChIKey is LSVCJACJGBWRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-18(11-16(4,5)20)15(19)13-9-7-8-10-14(13)17-12(2)3/h7-10,12,17,20H,6,11H2,1-5H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 79378834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).