(1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide

C19H25NO2 — CID 95986073

IUPAC(1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C19H25NO2/c21-18(16-7-3-1-4-8-16)20-15-19(11-13-22-14-12-19)17-9-5-2-6-10-17/h1-3,5-6,9-10,16H,4,7-8,11-15H2,(H,20,21)/t16-/m1/s1
InChIKeyDXFKHQFLRXPPFD-MRXNPFEDSA-N
MW299.41 g/mol
LogP3.21
Rot. Bonds4

About (1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 95986073) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID95986073
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C19H25NO2/c21-18(16-7-3-1-4-8-16)20-15-19(11-13-22-14-12-19)17-9-5-2-6-10-17/h1-3,5-6,9-10,16H,4,7-8,11-15H2,(H,20,21)/t16-/m1/s1
InChIKeyDXFKHQFLRXPPFD-MRXNPFEDSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Hermitamide A
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N-[(4-phenyloxan-4-yl)methyl]acetamide
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3-(4-fluorophenyl)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]acrylamide
CID 1212752
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
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N-(4-Phenyl-tetrahydro-pyran-4-ylmethyl)-2-pyrrolidin-1-yl-acetamide
CID 6603489
2-Dipropylamino-N-(4-phenyl-tetrahydro-pyran-4-ylmethyl)-acetamide
CID 9549399
N-(3-phenylpropyl)oxane-4-carboxamide
CID 51354589
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)cinnamamide
CID 846516
(E)-7-methoxy-N-(2-phenylethyl)tetradec-4-enamide
CID 11602937
N-(3-butoxypropyl)-3-phenylbutanamide
CID 2915773

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 95986073) is (1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is DXFKHQFLRXPPFD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO2/c21-18(16-7-3-1-4-8-16)20-15-19(11-13-22-14-12-19)17-9-5-2-6-10-17/h1-3,5-6,9-10,16H,4,7-8,11-15H2,(H,20,21)/t16-/m1/s1.
What are the key properties of (1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-phenyloxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 95986073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).