(2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide

C17H24N2O3 — CID 95813104

IUPAC(2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1CN(c2ccccc2)CCO1
InChIInChI=1S/C17H24N2O3/c20-17(18-12-14-6-9-21-10-7-14)16-13-19(8-11-22-16)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2,(H,18,20)/t16-/m1/s1
InChIKeyHJNUOWFVLKNVBE-MRXNPFEDSA-N
MW304.39 g/mol
LogP1.43
Rot. Bonds4

About (2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide

(2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide (PubChem CID 95813104) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide
PubChem CID95813104
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1CN(c2ccccc2)CCO1
InChIInChI=1S/C17H24N2O3/c20-17(18-12-14-6-9-21-10-7-14)16-13-19(8-11-22-16)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2,(H,18,20)/t16-/m1/s1
InChIKeyHJNUOWFVLKNVBE-MRXNPFEDSA-N
XLogP1.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
N-[(1R)-1-naphthalen-1-ylethyl]-4-phenylmorpholine-2-carboxamide
CID 121458579
1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 25224577
(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
CID 125009047
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119862653
2,2-dimethyl-N-[2-(4-phenylmorpholin-2-yl)ethyl]propanamide
CID 110709813
(2R)-4-(3-methoxyphenyl)-N-methylmorpholine-2-carboxamide
CID 95841946
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
(2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 164642882
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
(1S)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 98672750

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide (CID 95813104) is (2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide is O=C(NCC1CCOCC1)[C@H]1CN(c2ccccc2)CCO1.
What is the InChIKey of (2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide?
The InChIKey is HJNUOWFVLKNVBE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(18-12-14-6-9-21-10-7-14)16-13-19(8-11-22-16)15-4-2-1-3-5-15/h1-5,14,16H,6-13H2,(H,18,20)/t16-/m1/s1.
What are the key properties of (2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide?
(2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(oxan-4-ylmethyl)-4-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 95813104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).