N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide

C14H21NO3 — CID 110486078

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cccc(C(C)(C)O)c1
InChIInChI=1S/C14H21NO3/c1-13(2,9-16)15-12(17)10-6-5-7-11(8-10)14(3,4)18/h5-8,16,18H,9H2,1-4H3,(H,15,17)
InChIKeyLWLNWDHHNLYBEX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.41
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide

N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide (PubChem CID 110486078) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide
PubChem CID110486078
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cccc(C(C)(C)O)c1
InChIInChI=1S/C14H21NO3/c1-13(2,9-16)15-12(17)10-6-5-7-11(8-10)14(3,4)18/h5-8,16,18H,9H2,1-4H3,(H,15,17)
InChIKeyLWLNWDHHNLYBEX-UHFFFAOYSA-N
XLogP1.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
3-(dimethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390448
3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
CID 110486052
N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486103
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
3-(2-amino-2-sulfanylideneethyl)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 82178970
N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486080
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944768
N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486069
3-benzamido-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzamide
CID 75392218
3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390562

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide (CID 110486078) is N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1cccc(C(C)(C)O)c1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is LWLNWDHHNLYBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-13(2,9-16)15-12(17)10-6-5-7-11(8-10)14(3,4)18/h5-8,16,18H,9H2,1-4H3,(H,15,17).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 110486078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).