4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide

C21H24ClNO2 — CID 134802170

IUPAC4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(12-15-25-16-13-21)20(24)23-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,23,24)
InChIKeyOBRCYMIAWKSQLY-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.14
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide

4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide (PubChem CID 134802170) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide
PubChem CID134802170
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(12-15-25-16-13-21)20(24)23-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,23,24)
InChIKeyOBRCYMIAWKSQLY-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 24684626
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
N-[[4-(2-chloro-4-fluorophenyl)oxan-4-yl]methyl]-4-(4-chlorophenyl)-3-methyl-4-oxobutanamide
CID 44526972
4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 53506590
US9102591, 2-Chloro-N-[4-(4-chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-benzamide
CID 27449136
2-Chloro-N-[4-(4-chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-5-methyl-benzamide
CID 73672939
US9102591, N-[4-(4-Chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-2,3-dimethyl-benzamide
CID 73673062
US9102591, 2,6-Dichloro-N-[4-(4-chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-benzamide
CID 73673063
US9102591, 3-Chloro-N-[4-(4-chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-2-fluoro-benzamide
CID 117869734
3-(4-Chlorophenyl)-4-phenyl-3,4,5,6-tetrahydropyridin-2-ol
CID 3065190
2-Piperidinone, 3-(4-chlorophenyl)-4-phenyl-, trans-
CID 3065191
2-Piperidinone, 4-(4-chlorophenyl)-3-phenyl-, cis-
CID 3065192

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide (CID 134802170) is 4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide is O=C(NCCCc1ccccc1)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide?
The InChIKey is OBRCYMIAWKSQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(12-15-25-16-13-21)20(24)23-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide?
4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide has a molecular weight of 357.88 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-phenylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 134802170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).