N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride

C17H24ClN3O5 — CID 119717546

IUPACN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2COCCN2)cc1OCC(=O)NC1CC1.Cl
InChIInChI=1S/C17H23N3O5.ClH/c1-23-14-5-4-12(20-17(22)13-9-24-7-6-18-13)8-15(14)25-10-16(21)19-11-2-3-11;/h4-5,8,11,13,18H,2-3,6-7,9-10H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyHOEMZIQFTSSZJB-UHFFFAOYSA-N
MW385.85 g/mol
LogP0.70
Rot. Bonds7

About N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride

N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119717546) has the molecular formula C17H24ClN3O5 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119717546
Molecular FormulaC17H24ClN3O5
Molecular Weight385.85 g/mol
Exact Mass385.14
IUPAC NameN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2COCCN2)cc1OCC(=O)NC1CC1.Cl
InChIInChI=1S/C17H23N3O5.ClH/c1-23-14-5-4-12(20-17(22)13-9-24-7-6-18-13)8-15(14)25-10-16(21)19-11-2-3-11;/h4-5,8,11,13,18H,2-3,6-7,9-10H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyHOEMZIQFTSSZJB-UHFFFAOYSA-N
XLogP0.70
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]morpholine-3-carboxamide
CID 119739633
N-(3-ethyl-4-methoxyphenyl)morpholine-3-carboxamide
CID 115177545
(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride
CID 120786885
N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119794822
N-[4-(cyclopropylcarbamoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119702443
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride
CID 119717548
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
CID 119717551
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride (CID 119717546) is N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride is COc1ccc(NC(=O)C2COCCN2)cc1OCC(=O)NC1CC1.Cl.
What is the InChIKey of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is HOEMZIQFTSSZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5.ClH/c1-23-14-5-4-12(20-17(22)13-9-24-7-6-18-13)8-15(14)25-10-16(21)19-11-2-3-11;/h4-5,8,11,13,18H,2-3,6-7,9-10H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride?
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 385.85 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119717546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).