N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide

C16H25NO3 — CID 79381593

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C16H25NO3/c1-12(2)10-20-14-8-6-13(7-9-14)15(18)17(5)11-16(3,4)19/h6-9,12,19H,10-11H2,1-5H3
InChIKeyMFHKBAHJTUXZFF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.56
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide (PubChem CID 79381593) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide
PubChem CID79381593
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C16H25NO3/c1-12(2)10-20-14-8-6-13(7-9-14)15(18)17(5)11-16(3,4)19/h6-9,12,19H,10-11H2,1-5H3
InChIKeyMFHKBAHJTUXZFF-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 55061119
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide
CID 79380554
2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid
CID 43239741
N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 107202832
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
CID 110440864
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 63940992
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
4-(3-aminoprop-1-ynyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385792
N-(2-hydroxy-2-methylpropyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 79291508

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide (CID 79381593) is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)N(C)CC(C)(C)O)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide?
The InChIKey is MFHKBAHJTUXZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(2)10-20-14-8-6-13(7-9-14)15(18)17(5)11-16(3,4)19/h6-9,12,19H,10-11H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide has a molecular weight of 279.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 79381593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).