N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide

C18H27NO3 — CID 171679438

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)NC2(CO)CCOCC2)cc1
InChIInChI=1S/C18H27NO3/c1-14(2)16-6-3-15(4-7-16)5-8-17(21)19-18(13-20)9-11-22-12-10-18/h3-4,6-7,14,20H,5,8-13H2,1-2H3,(H,19,21)
InChIKeyUJBUPNFLIFRZFH-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.40
Rot. Bonds6

About N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide

N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 171679438) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide
PubChem CID171679438
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)NC2(CO)CCOCC2)cc1
InChIInChI=1S/C18H27NO3/c1-14(2)16-6-3-15(4-7-16)5-8-17(21)19-18(13-20)9-11-22-12-10-18/h3-4,6-7,14,20H,5,8-13H2,1-2H3,(H,19,21)
InChIKeyUJBUPNFLIFRZFH-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(4-ethylphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 119215227
N-[4-(bromomethyl)oxan-4-yl]-3-(4-methoxyphenyl)propanamide
CID 106304776
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298903
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
3-[3-(4-propan-2-ylphenyl)propanoylamino]butanoic acid
CID 119221299
2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid
CID 106296960
N-[4-(chloromethyl)oxan-4-yl]-3-(3-methylphenyl)propanamide
CID 106300497
2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid
CID 119214832

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide (CID 171679438) is N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CCC(=O)NC2(CO)CCOCC2)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is UJBUPNFLIFRZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(2)16-6-3-15(4-7-16)5-8-17(21)19-18(13-20)9-11-22-12-10-18/h3-4,6-7,14,20H,5,8-13H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide?
N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 171679438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).