3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide

C17H24ClNO2 — CID 110297555

IUPAC3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCC(C)C(CC(=O)NCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-12(2)16(13-5-7-14(18)8-6-13)10-17(20)19-11-15-4-3-9-21-15/h5-8,12,15-16H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyBWLDXKUQEPIALC-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.76
Rot. Bonds6

About 3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide

3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 110297555) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID110297555
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCC(C)C(CC(=O)NCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-12(2)16(13-5-7-14(18)8-6-13)10-17(20)19-11-15-4-3-9-21-15/h5-8,12,15-16H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyBWLDXKUQEPIALC-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7318082
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8676585
1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 17182016
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
CID 110316787
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94201113
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110771074

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of 3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide (CID 110297555) is 3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for 3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide is CC(C)C(CC(=O)NCC1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is BWLDXKUQEPIALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-12(2)16(13-5-7-14(18)8-6-13)10-17(20)19-11-15-4-3-9-21-15/h5-8,12,15-16H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide?
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 309.84 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 110297555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).