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

C19H22N2O2 — CID 119767529

IUPACN-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
SMILESCc1cccc(-c2cccc(CNC(=O)C3CNCCO3)c2)c1
InChIInChI=1S/C19H22N2O2/c1-14-4-2-6-16(10-14)17-7-3-5-15(11-17)12-21-19(22)18-13-20-8-9-23-18/h2-7,10-11,18,20H,8-9,12-13H2,1H3,(H,21,22)
InChIKeyZASFESWVPVEGTL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.27
Rot. Bonds4

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

N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 119767529) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
PubChem CID119767529
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
SMILESCc1cccc(-c2cccc(CNC(=O)C3CNCCO3)c2)c1
InChIInChI=1S/C19H22N2O2/c1-14-4-2-6-16(10-14)17-7-3-5-15(11-17)12-21-19(22)18-13-20-8-9-23-18/h2-7,10-11,18,20H,8-9,12-13H2,1H3,(H,21,22)
InChIKeyZASFESWVPVEGTL-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119719704
N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119767534
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119734842
N-[[3-(2-methylbutanoylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119716891
(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124588176
N-[[3-[5-[[2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;propane
CID 143994762
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide
CID 119804946
N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
CID 119819907
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119754617

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide (CID 119767529) is N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide is Cc1cccc(-c2cccc(CNC(=O)C3CNCCO3)c2)c1.
What is the InChIKey of N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is ZASFESWVPVEGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-4-2-6-16(10-14)17-7-3-5-15(11-17)12-21-19(22)18-13-20-8-9-23-18/h2-7,10-11,18,20H,8-9,12-13H2,1H3,(H,21,22).
What are the key properties of N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide?
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119767529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).