N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride

C16H22ClN3O4 — CID 119712395

IUPACN-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C1CNCCO1
InChIInChI=1S/C16H21N3O4.ClH/c20-15(14-11-17-5-8-23-14)18-13-3-1-12(2-4-13)16(21)19-6-9-22-10-7-19;/h1-4,14,17H,5-11H2,(H,18,20);1H
InChIKeyLSHXDIXURKYJPO-UHFFFAOYSA-N
MW355.82 g/mol
LogP0.51
Rot. Bonds3

About N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride

N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119712395) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119712395
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC NameN-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C1CNCCO1
InChIInChI=1S/C16H21N3O4.ClH/c20-15(14-11-17-5-8-23-14)18-13-3-1-12(2-4-13)16(21)19-6-9-22-10-7-19;/h1-4,14,17H,5-11H2,(H,18,20);1H
InChIKeyLSHXDIXURKYJPO-UHFFFAOYSA-N
XLogP0.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712346
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119770095
N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119740967
N-[4-(propylcarbamoyl)phenyl]morpholine-2-carboxamide
CID 119739016
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-2-carboxamide
CID 119762149
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide
CID 119761357
N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
CID 119871805
2,2-dichloro-N-[4-(morpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 78892227
N-[4-(triazol-1-yl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119762398
2-morpholin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119702419

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride (CID 119712395) is N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C1CNCCO1.
What is the InChIKey of N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is LSHXDIXURKYJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4.ClH/c20-15(14-11-17-5-8-23-14)18-13-3-1-12(2-4-13)16(21)19-6-9-22-10-7-19;/h1-4,14,17H,5-11H2,(H,18,20);1H.
What are the key properties of N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 355.82 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119712395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).