N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide

C10H21NO2 — CID 104553489

IUPACN-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)C(C)CO
InChIInChI=1S/C10H21NO2/c1-6-10(3,4)9(13)11(5)8(2)7-12/h8,12H,6-7H2,1-5H3
InChIKeyWJCMXUILZUODKK-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.26
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide

N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide (PubChem CID 104553489) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
PubChem CID104553489
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)C(C)CO
InChIInChI=1S/C10H21NO2/c1-6-10(3,4)9(13)11(5)8(2)7-12/h8,12H,6-7H2,1-5H3
InChIKeyWJCMXUILZUODKK-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N-methylacetamide;N,N,2,2-tetramethylbutanamide
CID 158358928
N-butan-2-yl-3-chloro-N,2,2-trimethylpropanamide
CID 63679965
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
2-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide
CID 104551608
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
N-(1-hydroxypropan-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968619
2-carbamothioyl-N-(1-hydroxypropan-2-yl)-N-methyl-2-propylpentanamide
CID 104551985
2,2-diethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 104551496
2-amino-N-butan-2-yl-N,2-dimethylbutanamide
CID 79797343
2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551581
N-[(dimethylamino)methyl]-N,2,2-trimethylbutanamide
CID 20588097

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide (CID 104553489) is N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)C(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide?
The InChIKey is WJCMXUILZUODKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-10(3,4)9(13)11(5)8(2)7-12/h8,12H,6-7H2,1-5H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide?
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 104553489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).