N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide

C19H29NO3 — CID 111486235

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(C(C)CC(=O)NCC2(O)CCOCC2)cc1
InChIInChI=1S/C19H29NO3/c1-14(2)16-4-6-17(7-5-16)15(3)12-18(21)20-13-19(22)8-10-23-11-9-19/h4-7,14-15,22H,8-13H2,1-3H3,(H,20,21)
InChIKeyCWVOPSYQDJWCTF-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.96
Rot. Bonds6

About N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide

N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide (PubChem CID 111486235) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
PubChem CID111486235
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(C(C)CC(=O)NCC2(O)CCOCC2)cc1
InChIInChI=1S/C19H29NO3/c1-14(2)16-4-6-17(7-5-16)15(3)12-18(21)20-13-19(22)8-10-23-11-9-19/h4-7,14-15,22H,8-13H2,1-3H3,(H,20,21)
InChIKeyCWVOPSYQDJWCTF-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]butanamide
CID 111486072
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
4-[[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]methyl]oxan-4-ol
CID 81133889
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
1-[1-(4-tert-butylphenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936623
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-phenylbutanamide
CID 110621403
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 79039200
4-[[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542342
3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide
CID 110310285

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide (CID 111486235) is N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide is CC(C)c1ccc(C(C)CC(=O)NCC2(O)CCOCC2)cc1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide?
The InChIKey is CWVOPSYQDJWCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)16-4-6-17(7-5-16)15(3)12-18(21)20-13-19(22)8-10-23-11-9-19/h4-7,14-15,22H,8-13H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide has a molecular weight of 319.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 111486235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).