N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide

C13H27NO2 — CID 3016603

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C)(C(=O)NC(C)(C)CO)C(C)C
InChIInChI=1S/C13H27NO2/c1-9(2)13(7,10(3)4)11(16)14-12(5,6)8-15/h9-10,15H,8H2,1-7H3,(H,14,16)
InChIKeyUYDUVPSGIDCZOL-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.19
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide

N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 3016603) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID3016603
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C)(C(=O)NC(C)(C)CO)C(C)C
InChIInChI=1S/C13H27NO2/c1-9(2)13(7,10(3)4)11(16)14-12(5,6)8-15/h9-10,15H,8H2,1-7H3,(H,14,16)
InChIKeyUYDUVPSGIDCZOL-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22182807
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CID 72941560
N-(1,1-Dimethyl-2-hydroxyethyl)-2,2-diethylbutanamide
CID 20565975
N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylpropanamide
CID 62517783
N-(2-Hydroxy-1,1-dimethylethyl)-2-isobutyl-3-methylvaleramide
CID 3024319
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbutanamide
CID 18709921
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylcyclobutane-1-carboxamide
CID 20784554
2-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
CID 39237968
N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpentanamide
CID 43500498
2-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)hexanamide
CID 43500961
N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide
CID 43500976
(2S)-N-(2-hydroxyethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
CID 57989552

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide (CID 3016603) is N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C)(C(=O)NC(C)(C)CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is UYDUVPSGIDCZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-9(2)13(7,10(3)4)11(16)14-12(5,6)8-15/h9-10,15H,8H2,1-7H3,(H,14,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 229.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 3016603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).