N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide

C19H22N2O3 — CID 119777833

IUPACN-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
SMILESCc1cccc(Oc2ccccc2CNC(=O)C2COCCN2)c1
InChIInChI=1S/C19H22N2O3/c1-14-5-4-7-16(11-14)24-18-8-3-2-6-15(18)12-21-19(22)17-13-23-10-9-20-17/h2-8,11,17,20H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyUCIYXQTZOGVNLU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.39
Rot. Bonds5

About N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide

N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 119777833) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
PubChem CID119777833
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
SMILESCc1cccc(Oc2ccccc2CNC(=O)C2COCCN2)c1
InChIInChI=1S/C19H22N2O3/c1-14-5-4-7-16(11-14)24-18-8-3-2-6-15(18)12-21-19(22)17-13-23-10-9-20-17/h2-8,11,17,20H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyUCIYXQTZOGVNLU-UHFFFAOYSA-N
XLogP2.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-yloxyphenyl)methyl]morpholine-3-carboxamide
CID 119707515
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865
(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
CID 124682602
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
CID 119811606
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847828
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
CID 119816482
2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 146085901
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119800989
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119816481
N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86897083

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide (CID 119777833) is N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide is Cc1cccc(Oc2ccccc2CNC(=O)C2COCCN2)c1.
What is the InChIKey of N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is UCIYXQTZOGVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-5-4-7-16(11-14)24-18-8-3-2-6-15(18)12-21-19(22)17-13-23-10-9-20-17/h2-8,11,17,20H,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide?
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119777833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).