N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide

C20H23NO3 — CID 95616816

IUPACN-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
SMILESCOc1ccccc1[C@H](NC(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-23-18-10-6-5-9-17(18)19(15-7-3-2-4-8-15)21-20(22)16-11-13-24-14-12-16/h2-10,16,19H,11-14H2,1H3,(H,21,22)/t19-/m1/s1
InChIKeyYGFMQINFHGUCSZ-LJQANCHMSA-N
MW325.41 g/mol
LogP3.33
Rot. Bonds5

About N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide

N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide (PubChem CID 95616816) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
PubChem CID95616816
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
SMILESCOc1ccccc1[C@H](NC(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-23-18-10-6-5-9-17(18)19(15-7-3-2-4-8-15)21-20(22)16-11-13-24-14-12-16/h2-10,16,19H,11-14H2,1H3,(H,21,22)/t19-/m1/s1
InChIKeyYGFMQINFHGUCSZ-LJQANCHMSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide
CID 51189650
(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95616808
(3R)-1-cyclopropyl-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 92601337
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(3R)-N-[(R)-phenyl(pyridin-4-yl)methyl]oxolane-3-carboxamide
CID 95271888
N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 171097047
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 95275632
2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid
CID 142421148
4-(oxane-4-carbonylamino)-4-phenylbutanoic acid
CID 60825347
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide?
The IUPAC name of N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide (CID 95616816) is N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide?
The canonical SMILES for N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide is COc1ccccc1[C@H](NC(=O)C1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide?
The InChIKey is YGFMQINFHGUCSZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-18-10-6-5-9-17(18)19(15-7-3-2-4-8-15)21-20(22)16-11-13-24-14-12-16/h2-10,16,19H,11-14H2,1H3,(H,21,22)/t19-/m1/s1.
What are the key properties of N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide?
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide is sourced from PubChem (CID 95616816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).