N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide

C19H21N3O3 — CID 51337572

IUPACN-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CCOCC2)c1
InChIInChI=1S/C19H21N3O3/c23-18(14-9-11-25-12-10-14)20-16-7-4-8-17(13-16)22-19(24)21-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,20,23)(H2,21,22,24)
InChIKeyUHDHERHJIOURNY-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.70
Rot. Bonds4

About N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide

N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide (PubChem CID 51337572) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide
PubChem CID51337572
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CCOCC2)c1
InChIInChI=1S/C19H21N3O3/c23-18(14-9-11-25-12-10-14)20-16-7-4-8-17(13-16)22-19(24)21-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,20,23)(H2,21,22,24)
InChIKeyUHDHERHJIOURNY-UHFFFAOYSA-N
XLogP3.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-(thiane-4-carbonylamino)phenyl]thiane-4-carboxamide
CID 171577086
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909

Frequently Asked Questions

What is the IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide (CID 51337572) is N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide is O=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CCOCC2)c1.
What is the InChIKey of N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide?
The InChIKey is UHDHERHJIOURNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(14-9-11-25-12-10-14)20-16-7-4-8-17(13-16)22-19(24)21-15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide?
N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 51337572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).