3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide

C19H28ClNO3 — CID 110310285

IUPAC3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide
SMILESCC(C)C(CC(=O)NCC1(CO)CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H28ClNO3/c1-14(2)17(15-3-5-16(20)6-4-15)11-18(23)21-12-19(13-22)7-9-24-10-8-19/h3-6,14,17,22H,7-13H2,1-2H3,(H,21,23)
InChIKeyNRWJLGYHXVVMEE-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.38
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide

3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide (PubChem CID 110310285) has the molecular formula C19H28ClNO3 and a molecular weight of 353.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide
PubChem CID110310285
Molecular FormulaC19H28ClNO3
Molecular Weight353.89 g/mol
Exact Mass353.18
IUPAC Name3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide
SMILESCC(C)C(CC(=O)NCC1(CO)CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H28ClNO3/c1-14(2)17(15-3-5-16(20)6-4-15)11-18(23)21-12-19(13-22)7-9-24-10-8-19/h3-6,14,17,22H,7-13H2,1-2H3,(H,21,23)
InChIKeyNRWJLGYHXVVMEE-UHFFFAOYSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-oxobutanamide
CID 110310297
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide
CID 110313875
N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
CID 111486235
3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
CID 110312179
4-(2-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-oxobutanamide
CID 110631700
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide
CID 109480246
2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717682
3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 110310309
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 97276008
2-[(4-chlorophenyl)methylsulfanyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80710808

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide (CID 110310285) is 3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide is CC(C)C(CC(=O)NCC1(CO)CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide?
The InChIKey is NRWJLGYHXVVMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO3/c1-14(2)17(15-3-5-16(20)6-4-15)11-18(23)21-12-19(13-22)7-9-24-10-8-19/h3-6,14,17,22H,7-13H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide?
3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide has a molecular weight of 353.89 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide is sourced from PubChem (CID 110310285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).