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

C20H33ClN2O3 — CID 119754136

IUPACN-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCCCCC(CC)COCc1cccc(NC(=O)C2COCCN2)c1.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-3-5-7-16(4-2)13-25-14-17-8-6-9-18(12-17)22-20(23)19-15-24-11-10-21-19;/h6,8-9,12,16,19,21H,3-5,7,10-11,13-15H2,1-2H3,(H,22,23);1H
InChIKeyPZUGUUKZXAZFBV-UHFFFAOYSA-N
MW384.95 g/mol
LogP3.77
Rot. Bonds10

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

N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119754136) has the molecular formula C20H33ClN2O3 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119754136
Molecular FormulaC20H33ClN2O3
Molecular Weight384.95 g/mol
Exact Mass384.22
IUPAC NameN-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCCCCC(CC)COCc1cccc(NC(=O)C2COCCN2)c1.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-3-5-7-16(4-2)13-25-14-17-8-6-9-18(12-17)22-20(23)19-15-24-11-10-21-19;/h6,8-9,12,16,19,21H,3-5,7,10-11,13-15H2,1-2H3,(H,22,23);1H
InChIKeyPZUGUUKZXAZFBV-UHFFFAOYSA-N
XLogP3.77
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide
CID 119754157
(2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride
CID 119306401
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
(3S)-N-[3-(tert-butylsulfanylmethyl)phenyl]morpholine-3-carboxamide
CID 100652547
N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
CID 119789843
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
CID 119787005
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119899006
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759666
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride (CID 119754136) is N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride is CCCCC(CC)COCc1cccc(NC(=O)C2COCCN2)c1.Cl.
What is the InChIKey of N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is PZUGUUKZXAZFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3.ClH/c1-3-5-7-16(4-2)13-25-14-17-8-6-9-18(12-17)22-20(23)19-15-24-11-10-21-19;/h6,8-9,12,16,19,21H,3-5,7,10-11,13-15H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119754136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).