N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride

C16H22ClN3O4 — CID 119712346

IUPACN-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C1CNCCO1
InChIInChI=1S/C16H21N3O4.ClH/c20-15(14-11-17-4-7-23-14)18-13-3-1-2-12(10-13)16(21)19-5-8-22-9-6-19;/h1-3,10,14,17H,4-9,11H2,(H,18,20);1H
InChIKeyZKSWKODEUDJAOH-UHFFFAOYSA-N
MW355.82 g/mol
LogP0.51
Rot. Bonds3

About N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride

N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119712346) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119712346
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C1CNCCO1
InChIInChI=1S/C16H21N3O4.ClH/c20-15(14-11-17-4-7-23-14)18-13-3-1-2-12(10-13)16(21)19-5-8-22-9-6-19;/h1-3,10,14,17H,4-9,11H2,(H,18,20);1H
InChIKeyZKSWKODEUDJAOH-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-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712395
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 119283247
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-3-carboxamide
CID 119712313
methyl 1-[3-(morpholine-2-carbonylamino)benzoyl]piperidine-2-carboxylate
CID 119781247
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide
CID 119692150
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride (CID 119712346) is N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C1CNCCO1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is ZKSWKODEUDJAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4.ClH/c20-15(14-11-17-4-7-23-14)18-13-3-1-2-12(10-13)16(21)19-5-8-22-9-6-19;/h1-3,10,14,17H,4-9,11H2,(H,18,20);1H.
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
N-[3-(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-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119712346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).