N-(1,1-Dimethyl-2-hydroxyethyl)benzamide

C11H15NO2 — CID 639965

IUPACN-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)C1=CC=CC=C1
InChIInChI=1S/C11H15NO2/c1-11(2,8-13)12-10(14)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H,12,14)
InChIKeyPCSOUTBWLVEYRU-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.10
Rot. Bonds3

About N-(1,1-Dimethyl-2-hydroxyethyl)benzamide

N-(1,1-Dimethyl-2-hydroxyethyl)benzamide (PubChem CID 639965) has the molecular formula C11H15NO2 and a molecular weight of 193.24 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,1-Dimethyl-2-hydroxyethyl)benzamide
PubChem CID639965
Molecular FormulaC11H15NO2
Molecular Weight193.24 g/mol
Exact Mass193.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)C1=CC=CC=C1
InChIInChI=1S/C11H15NO2/c1-11(2,8-13)12-10(14)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H,12,14)
InChIKeyPCSOUTBWLVEYRU-UHFFFAOYSA-N
XLogP1.10
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity195

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(hydroxymethyl)benzamide
CID 80493
N-benzoyl-D-alanine
CID 91514
N-Benzoyl-DL-alanine
CID 71002
N-benzoyl-L-alanine
CID 709778
N-Benzoyl-2-methylalanine
CID 257223
N,N'-di-tert-butylterephthalamide
CID 272224
N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974108
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 978238
3-Hydroxy-2-(phenylformamido)propanoic acid
CID 333801
N,N-bis(2-hydroxypropyl)benzamide
CID 11470407
N-[1-(3-Hydroxy-propylcarbamoyl)-2-methyl-propenyl]-benzamide
CID 1878728
N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide
CID 155550246

Frequently Asked Questions

What is the IUPAC name of N-(1,1-Dimethyl-2-hydroxyethyl)benzamide?
The IUPAC name of N-(1,1-Dimethyl-2-hydroxyethyl)benzamide (CID 639965) is N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for N-(1,1-Dimethyl-2-hydroxyethyl)benzamide?
The canonical SMILES for N-(1,1-Dimethyl-2-hydroxyethyl)benzamide is CC(C)(CO)NC(=O)C1=CC=CC=C1.
What is the InChIKey of N-(1,1-Dimethyl-2-hydroxyethyl)benzamide?
The InChIKey is PCSOUTBWLVEYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,8-13)12-10(14)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3,(H,12,14).
What are the key properties of N-(1,1-Dimethyl-2-hydroxyethyl)benzamide?
N-(1,1-Dimethyl-2-hydroxyethyl)benzamide has a molecular weight of 193.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-Dimethyl-2-hydroxyethyl)benzamide is sourced from PubChem (CID 639965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).