(2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide

C20H24N2O3 — CID 95934151

IUPAC(2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide
SMILESCc1ccccc1[C@H]1CN(C(=O)NCc2cccc(CO)c2)CCO1
InChIInChI=1S/C20H24N2O3/c1-15-5-2-3-8-18(15)19-13-22(9-10-25-19)20(24)21-12-16-6-4-7-17(11-16)14-23/h2-8,11,19,23H,9-10,12-14H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyFQIOJQFJYWRJJN-LJQANCHMSA-N
MW340.42 g/mol
LogP2.77
Rot. Bonds4

About (2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide

(2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide (PubChem CID 95934151) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide
PubChem CID95934151
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide
SMILESCc1ccccc1[C@H]1CN(C(=O)NCc2cccc(CO)c2)CCO1
InChIInChI=1S/C20H24N2O3/c1-15-5-2-3-8-18(15)19-13-22(9-10-25-19)20(24)21-12-16-6-4-7-17(11-16)14-23/h2-8,11,19,23H,9-10,12-14H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyFQIOJQFJYWRJJN-LJQANCHMSA-N
XLogP2.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480848
N-ethyl-3-[[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]methyl]benzamide
CID 109479489
N-tert-butyl-3-[[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109481562
2-[3-[[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 109480134
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480916
2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide
CID 86889836
N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide
CID 109479523
3-(3-methoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 110364528
3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
CID 109481109
N-(4-chlorophenyl)-2-(2-methylphenyl)morpholine-4-carboxamide
CID 110364497
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide (CID 95934151) is (2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide is Cc1ccccc1[C@H]1CN(C(=O)NCc2cccc(CO)c2)CCO1.
What is the InChIKey of (2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide?
The InChIKey is FQIOJQFJYWRJJN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-5-2-3-8-18(15)19-13-22(9-10-25-19)20(24)21-12-16-6-4-7-17(11-16)14-23/h2-8,11,19,23H,9-10,12-14H2,1H3,(H,21,24)/t19-/m1/s1.
What are the key properties of (2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide?
(2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 95934151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).