N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride

C18H31Cl2N3O4 — CID 119865052

IUPACN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCOc1cc(NC(=O)C2CNCCO2)ccc1OC.Cl.Cl
InChIInChI=1S/C18H29N3O4.2ClH/c1-4-21(5-2)9-11-25-16-12-14(6-7-15(16)23-3)20-18(22)17-13-19-8-10-24-17;;/h6-7,12,17,19H,4-5,8-11,13H2,1-3H3,(H,20,22);2*1H
InChIKeyDCIAKNAKUIRKLW-UHFFFAOYSA-N
MW424.37 g/mol
LogP2.19
Rot. Bonds9

About N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119865052) has the molecular formula C18H31Cl2N3O4 and a molecular weight of 424.37 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119865052
Molecular FormulaC18H31Cl2N3O4
Molecular Weight424.37 g/mol
Exact Mass423.17
IUPAC NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride
SMILESCCN(CC)CCOc1cc(NC(=O)C2CNCCO2)ccc1OC.Cl.Cl
InChIInChI=1S/C18H29N3O4.2ClH/c1-4-21(5-2)9-11-25-16-12-14(6-7-15(16)23-3)20-18(22)17-13-19-8-10-24-17;;/h6-7,12,17,19H,4-5,8-11,13H2,1-3H3,(H,20,22);2*1H
InChIKeyDCIAKNAKUIRKLW-UHFFFAOYSA-N
XLogP2.19
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119723387
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
CID 119865014
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015
(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide
CID 120645414
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119742216
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-(2,5-dimethoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674283
N-(5-chloro-2-propoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119725674
N-[3-(diethylsulfamoyl)-4-methylphenyl]morpholine-2-carboxamide
CID 119674988

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride (CID 119865052) is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride is CCN(CC)CCOc1cc(NC(=O)C2CNCCO2)ccc1OC.Cl.Cl.
What is the InChIKey of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is DCIAKNAKUIRKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4.2ClH/c1-4-21(5-2)9-11-25-16-12-14(6-7-15(16)23-3)20-18(22)17-13-19-8-10-24-17;;/h6-7,12,17,19H,4-5,8-11,13H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride?
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 424.37 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119865052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).