N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide

C14H29NO2 — CID 63834362

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide
SMILESCC(C)CC(CO)NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)7-12(9-16)15-13(17)8-11(3)14(4,5)6/h10-12,16H,7-9H2,1-6H3,(H,15,17)
InChIKeyRIWJJUIFEKTCDU-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.58
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide

N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide (PubChem CID 63834362) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide
PubChem CID63834362
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide
SMILESCC(C)CC(CO)NC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)7-12(9-16)15-13(17)8-11(3)14(4,5)6/h10-12,16H,7-9H2,1-6H3,(H,15,17)
InChIKeyRIWJJUIFEKTCDU-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 78952360
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide
CID 10609681
(3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide
CID 95790111
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
CID 107861443
N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
CID 104873024
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689
N-(4-aminobutan-2-yl)-3,4,4-trimethylpentanamide
CID 63832497
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
2-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61247343
(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
CID 97019330

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide (CID 63834362) is N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide is CC(C)CC(CO)NC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide?
The InChIKey is RIWJJUIFEKTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-10(2)7-12(9-16)15-13(17)8-11(3)14(4,5)6/h10-12,16H,7-9H2,1-6H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63834362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).