4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide

C24H29NO3 — CID 1082209

IUPAC4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H29NO3/c26-22(24(13-17-28-18-14-24)21-9-5-2-6-10-21)25-19-23(11-15-27-16-12-23)20-7-3-1-4-8-20/h1-10H,11-19H2,(H,25,26)
InChIKeyBCNDMSQOSOIGPP-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.60
Rot. Bonds5

About 4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide

4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide (PubChem CID 1082209) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
PubChem CID1082209
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H29NO3/c26-22(24(13-17-28-18-14-24)21-9-5-2-6-10-21)25-19-23(11-15-27-16-12-23)20-7-3-1-4-8-20/h1-10H,11-19H2,(H,25,26)
InChIKeyBCNDMSQOSOIGPP-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
1-[[(4-phenyloxane-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544882
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-phenyloxane-4-carboxamide
CID 121179056
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide (CID 1082209) is 4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide?
The InChIKey is BCNDMSQOSOIGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c26-22(24(13-17-28-18-14-24)21-9-5-2-6-10-21)25-19-23(11-15-27-16-12-23)20-7-3-1-4-8-20/h1-10H,11-19H2,(H,25,26).
What are the key properties of 4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide?
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 1082209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).