1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea

C15H18N4O2 — CID 134915010

IUPAC1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea
SMILESN#C/C=C(/NC(=O)NCc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H18N4O2/c16-7-6-14(19-8-10-21-11-9-19)18-15(20)17-12-13-4-2-1-3-5-13/h1-6H,8-12H2,(H2,17,18,20)/b14-6-
InChIKeyNINOWHRDPSUJRC-NSIKDUERSA-N
MW286.33 g/mol
LogP1.18
Rot. Bonds4

About 1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea

1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea (PubChem CID 134915010) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea
PubChem CID134915010
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea
SMILESN#C/C=C(/NC(=O)NCc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H18N4O2/c16-7-6-14(19-8-10-21-11-9-19)18-15(20)17-12-13-4-2-1-3-5-13/h1-6H,8-12H2,(H2,17,18,20)/b14-6-
InChIKeyNINOWHRDPSUJRC-NSIKDUERSA-N
XLogP1.18
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-morpholin-4-ylurea
CID 107653208
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile
CID 10846305
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
CID 2697515
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
(E)-N-benzyl-2-cyano-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide
CID 126163201
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
2-(benzylcarbamoylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30905093
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
(E)-4,4-difluoro-2-(morpholine-4-carbonylamino)-5-phenylpent-2-enoic acid
CID 162580815

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea?
The IUPAC name of 1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea (CID 134915010) is 1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea.
What is the SMILES notation for 1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea?
The canonical SMILES for 1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea is N#C/C=C(/NC(=O)NCc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea?
The InChIKey is NINOWHRDPSUJRC-NSIKDUERSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-7-6-14(19-8-10-21-11-9-19)18-15(20)17-12-13-4-2-1-3-5-13/h1-6H,8-12H2,(H2,17,18,20)/b14-6-.
What are the key properties of 1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea?
1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea has a molecular weight of 286.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(Z)-2-cyano-1-morpholin-4-ylethenyl]urea is sourced from PubChem (CID 134915010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).