N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide

C16H22N4O3 — CID 119736053

IUPACN-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)N1CCCC1)C1CNCCO1
InChIInChI=1S/C16H22N4O3/c21-15(14-11-17-7-10-23-14)18-12-5-1-2-6-13(12)19-16(22)20-8-3-4-9-20/h1-2,5-6,14,17H,3-4,7-11H2,(H,18,21)(H,19,22)
InChIKeyPMMCDWUFKBMBDC-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.24
Rot. Bonds3

About N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide

N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide (PubChem CID 119736053) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide
PubChem CID119736053
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)N1CCCC1)C1CNCCO1
InChIInChI=1S/C16H22N4O3/c21-15(14-11-17-7-10-23-14)18-12-5-1-2-6-13(12)19-16(22)20-8-3-4-9-20/h1-2,5-6,14,17H,3-4,7-11H2,(H,18,21)(H,19,22)
InChIKeyPMMCDWUFKBMBDC-UHFFFAOYSA-N
XLogP1.24
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119711808
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119743730
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119755679
N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119801569
N-[2-[(2-methylpropan-2-yl)oxy]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792290
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-2-carboxamide
CID 119713878
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119852924
N-(2,4,5-trifluorophenyl)morpholine-2-carboxamide
CID 62816271
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide (CID 119736053) is N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide is O=C(Nc1ccccc1NC(=O)N1CCCC1)C1CNCCO1.
What is the InChIKey of N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide?
The InChIKey is PMMCDWUFKBMBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-15(14-11-17-7-10-23-14)18-12-5-1-2-6-13(12)19-16(22)20-8-3-4-9-20/h1-2,5-6,14,17H,3-4,7-11H2,(H,18,21)(H,19,22).
What are the key properties of N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide?
N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119736053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).