N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide

C18H29NO3 — CID 109380007

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
SMILESCC(C)C(CCO)NC(=O)C(OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29NO3/c1-13(2)15(11-12-20)19-17(21)16(22-18(3,4)5)14-9-7-6-8-10-14/h6-10,13,15-16,20H,11-12H2,1-5H3,(H,19,21)
InChIKeyFGECKHYKUPYGKF-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.07
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide

N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide (PubChem CID 109380007) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
PubChem CID109380007
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
SMILESCC(C)C(CCO)NC(=O)C(OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H29NO3/c1-13(2)15(11-12-20)19-17(21)16(22-18(3,4)5)14-9-7-6-8-10-14/h6-10,13,15-16,20H,11-12H2,1-5H3,(H,19,21)
InChIKeyFGECKHYKUPYGKF-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 97241364
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
[(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate
CID 139251068
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
CID 103810708
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
CID 106349815
N-(1-hydroxy-4-methylpentan-3-yl)-2-(2-methylphenyl)acetamide
CID 103751084
tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate
CID 143420982
ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate
CID 103950866
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
N-(3-hydroxybutyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 109379794

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide (CID 109380007) is N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide is CC(C)C(CCO)NC(=O)C(OC(C)(C)C)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The InChIKey is FGECKHYKUPYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-13(2)15(11-12-20)19-17(21)16(22-18(3,4)5)14-9-7-6-8-10-14/h6-10,13,15-16,20H,11-12H2,1-5H3,(H,19,21).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide has a molecular weight of 307.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide is sourced from PubChem (CID 109380007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).