N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide

C20H23NO2 — CID 51189650

IUPACN-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-15-7-9-17(10-8-15)19(16-5-3-2-4-6-16)21-20(22)18-11-13-23-14-12-18/h2-10,18-19H,11-14H2,1H3,(H,21,22)
InChIKeyJZVMEKHEDIEDGP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.63
Rot. Bonds4

About N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide

N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide (PubChem CID 51189650) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide
PubChem CID51189650
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide
SMILESCc1ccc(C(NC(=O)C2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-15-7-9-17(10-8-15)19(16-5-3-2-4-6-16)21-20(22)18-11-13-23-14-12-18/h2-10,18-19H,11-14H2,1H3,(H,21,22)
InChIKeyJZVMEKHEDIEDGP-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
CID 95616816
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(3R)-N-[(R)-phenyl(pyridin-4-yl)methyl]oxolane-3-carboxamide
CID 95271888
trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide
CID 124738701
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40966975
(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 95275632
4-(oxane-4-carbonylamino)-4-phenylbutanoic acid
CID 60825347
1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 99970769
(3S)-N-[(S)-(4-methylphenyl)-phenylmethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8798310

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide (CID 51189650) is N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide is Cc1ccc(C(NC(=O)C2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide?
The InChIKey is JZVMEKHEDIEDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-7-9-17(10-8-15)19(16-5-3-2-4-6-16)21-20(22)18-11-13-23-14-12-18/h2-10,18-19H,11-14H2,1H3,(H,21,22).
What are the key properties of N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide?
N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide is sourced from PubChem (CID 51189650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).