(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide

C17H24ClNO2 — CID 97310475

IUPAC(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
SMILESCCC(CC)(NC(=O)[C@H]1CCCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-3-17(4-2,14-7-9-15(18)10-8-14)19-16(20)13-6-5-11-21-12-13/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyURPQNBJRCYNYQV-ZDUSSCGKSA-N
MW309.84 g/mol
LogP3.90
Rot. Bonds5

About (3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide

(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide (PubChem CID 97310475) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
PubChem CID97310475
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
SMILESCCC(CC)(NC(=O)[C@H]1CCCOC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-3-17(4-2,14-7-9-15(18)10-8-14)19-16(20)13-6-5-11-21-12-13/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyURPQNBJRCYNYQV-ZDUSSCGKSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
CID 119315399
N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119769495
(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide
CID 120630325
N-[3-(4-chlorophenyl)pentan-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405560
(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
CID 95331327
3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide
CID 119315395
N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide
CID 113091859
N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
CID 167749080
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide
CID 63010280
(2S)-2-(4-chlorophenyl)-2-[[(2R)-1,4-dioxane-2-carbonyl]amino]butanoic acid
CID 125118751
(2R)-2-(4-chlorophenyl)-2-[[(2S)-1,4-dioxane-2-carbonyl]amino]butanoic acid
CID 125118753
N-[(2-chlorophenyl)methylsulfonyl]oxane-3-carboxamide
CID 102555038

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide (CID 97310475) is (3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide is CCC(CC)(NC(=O)[C@H]1CCCOC1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide?
The InChIKey is URPQNBJRCYNYQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-17(4-2,14-7-9-15(18)10-8-14)19-16(20)13-6-5-11-21-12-13/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide?
(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide is sourced from PubChem (CID 97310475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).