N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide

C16H22N4O4 — CID 171576986

IUPACN-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C16H22N4O4/c21-15(19-4-8-23-9-5-19)17-13-2-1-3-14(12-13)18-16(22)20-6-10-24-11-7-20/h1-3,12H,4-11H2,(H,17,21)(H,18,22)
InChIKeyIRAOSTMJNUGJIV-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.41
Rot. Bonds2

About N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide

N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide (PubChem CID 171576986) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
PubChem CID171576986
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCOCC2)c1)N1CCOCC1
InChIInChI=1S/C16H22N4O4/c21-15(19-4-8-23-9-5-19)17-13-2-1-3-14(12-13)18-16(22)20-6-10-24-11-7-20/h1-3,12H,4-11H2,(H,17,21)(H,18,22)
InChIKeyIRAOSTMJNUGJIV-UHFFFAOYSA-N
XLogP1.41
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-(3-formamidophenyl)morpholine-4-carboxamide
CID 168652828
3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid
CID 115277723
N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
CID 34684605
N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]morpholine-4-carboxamide
CID 67712660
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
N-(3,5-dihydroxyphenyl)morpholine-4-carboxamide
CID 108895379
N-(3-tert-butylphenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143361
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
N-[3-(1H-indol-4-yl)phenyl]morpholine-4-carboxamide
CID 135372064

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide (CID 171576986) is N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(NC(=O)N2CCOCC2)c1)N1CCOCC1.
What is the InChIKey of N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide?
The InChIKey is IRAOSTMJNUGJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c21-15(19-4-8-23-9-5-19)17-13-2-1-3-14(12-13)18-16(22)20-6-10-24-11-7-20/h1-3,12H,4-11H2,(H,17,21)(H,18,22).
What are the key properties of N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide?
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 171576986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).