N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide

C10H21NO2 — CID 62335118

IUPACN-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
SMILESCC(O)CN(C)C(=O)CC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-8(12)7-11(5)9(13)6-10(2,3)4/h8,12H,6-7H2,1-5H3
InChIKeyGJTXDTDHEFTALM-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.26
Rot. Bonds3

About N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide

N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide (PubChem CID 62335118) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
PubChem CID62335118
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
SMILESCC(O)CN(C)C(=O)CC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-8(12)7-11(5)9(13)6-10(2,3)4/h8,12H,6-7H2,1-5H3
InChIKeyGJTXDTDHEFTALM-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-ethyl-N,3,3-trimethylbutanamide
CID 89107590
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethyl-3-oxopentanamide
CID 18728836
N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107028266
4-amino-N,3,3-trimethyl-N-(2-methylpropyl)butanamide
CID 115157243
1-(2-hydroxypropyl)-1,3,3-trimethylurea
CID 79153852
5-hydroxy-N-(2-hydroxypropyl)-N-methylpentanamide
CID 79199467
N,3,3-trimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 130272316
N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
CID 76929143
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
CID 79543922
N-(2-hydroxypropyl)-N-methylpropanamide;N-methyl-N-(2-oxoethyl)propanamide
CID 54420661
3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
CID 18736157

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide?
The IUPAC name of N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide (CID 62335118) is N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide is CC(O)CN(C)C(=O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide?
The InChIKey is GJTXDTDHEFTALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(12)7-11(5)9(13)6-10(2,3)4/h8,12H,6-7H2,1-5H3.
What are the key properties of N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide?
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 62335118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).