N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride

C15H22ClN3O3 — CID 119734842

IUPACN-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCCNC(=O)c1cccc(CNC(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-2-17-14(19)12-5-3-4-11(8-12)9-18-15(20)13-10-16-6-7-21-13;/h3-5,8,13,16H,2,6-7,9-10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyJQDPMEQYUCUQLA-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.46
Rot. Bonds5

About N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride

N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119734842) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119734842
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCCNC(=O)c1cccc(CNC(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-2-17-14(19)12-5-3-4-11(8-12)9-18-15(20)13-10-16-6-7-21-13;/h3-5,8,13,16H,2,6-7,9-10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyJQDPMEQYUCUQLA-UHFFFAOYSA-N
XLogP0.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
N-[2-[3-(methylcarbamoyl)phenyl]ethyl]morpholine-2-carboxamide
CID 119798226
(2R,3S)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120925797
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
N-[[3-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 119767529
N-[[3-(2-methylbutanoylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119716891
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119719704
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119743730
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (CID 119734842) is N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is CCNC(=O)c1cccc(CNC(=O)C2CNCCO2)c1.Cl.
What is the InChIKey of N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is JQDPMEQYUCUQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-2-17-14(19)12-5-3-4-11(8-12)9-18-15(20)13-10-16-6-7-21-13;/h3-5,8,13,16H,2,6-7,9-10H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylcarbamoyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119734842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).