2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide

C19H22N2O3 — CID 46059378

IUPAC2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
SMILESCc1cccc(OCC2CN(C(=O)Nc3ccccc3)CCO2)c1
InChIInChI=1S/C19H22N2O3/c1-15-6-5-9-17(12-15)24-14-18-13-21(10-11-23-18)19(22)20-16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3,(H,20,22)
InChIKeyPSZWSBDRCKXYOV-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.31
Rot. Bonds4

About 2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide

2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide (PubChem CID 46059378) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
PubChem CID46059378
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
SMILESCc1cccc(OCC2CN(C(=O)Nc3ccccc3)CCO2)c1
InChIInChI=1S/C19H22N2O3/c1-15-6-5-9-17(12-15)24-14-18-13-21(10-11-23-18)19(22)20-16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3,(H,20,22)
InChIKeyPSZWSBDRCKXYOV-UHFFFAOYSA-N
XLogP3.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927184
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075805
1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
CID 81208849
1-[2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]propan-1-one
CID 46059317
(3S)-3-(methanesulfonamido)-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]piperidine-1-carboxamide
CID 52539738
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
2-[(3-ethynylphenoxy)methyl]-N-(2-phenylethyl)morpholine-4-carboxamide
CID 3667814
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide?
The IUPAC name of 2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide (CID 46059378) is 2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for 2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for 2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide is Cc1cccc(OCC2CN(C(=O)Nc3ccccc3)CCO2)c1.
What is the InChIKey of 2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide?
The InChIKey is PSZWSBDRCKXYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15-6-5-9-17(12-15)24-14-18-13-21(10-11-23-18)19(22)20-16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3,(H,20,22).
What are the key properties of 2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide?
2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 46059378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).