N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide

C18H27NO3 — CID 155958813

IUPACN-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)NC(CO)CC2CCOC2)cc1
InChIInChI=1S/C18H27NO3/c1-13(2)16-5-3-14(4-6-16)10-18(21)19-17(11-20)9-15-7-8-22-12-15/h3-6,13,15,17,20H,7-12H2,1-2H3,(H,19,21)
InChIKeyRGIFRCWZCGEOMK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.26
Rot. Bonds7

About N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 155958813) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID155958813
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)NC(CO)CC2CCOC2)cc1
InChIInChI=1S/C18H27NO3/c1-13(2)16-5-3-14(4-6-16)10-18(21)19-17(11-20)9-15-7-8-22-12-15/h3-6,13,15,17,20H,7-12H2,1-2H3,(H,19,21)
InChIKeyRGIFRCWZCGEOMK-UHFFFAOYSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
1-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-3-(4-hydroxy-2-phenylpentyl)urea
CID 166322531
1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114241844
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801734
1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362149
2-[4-[(oxolan-3-ylmethylamino)methyl]phenyl]propanoic acid
CID 103242573
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 129377935
N-[2-(oxolan-3-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 114130505
2-(4-methylsulfanylphenyl)-N-[2-(oxolan-3-yl)ethyl]acetamide
CID 91774733
3-[1-(4-chlorophenyl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 86999680
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 155958813) is N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)NC(CO)CC2CCOC2)cc1.
What is the InChIKey of N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is RGIFRCWZCGEOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(2)16-5-3-14(4-6-16)10-18(21)19-17(11-20)9-15-7-8-22-12-15/h3-6,13,15,17,20H,7-12H2,1-2H3,(H,19,21).
What are the key properties of N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 155958813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).