4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide

C15H19N3O2 — CID 108911862

IUPAC4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)N/C=C/C2CCCC2)cc1
InChIInChI=1S/C15H19N3O2/c16-14(19)12-5-7-13(8-6-12)18-15(20)17-10-9-11-3-1-2-4-11/h5-11H,1-4H2,(H2,16,19)(H2,17,18,20)/b10-9+
InChIKeyOJNWAIQHWXBDSU-MDZDMXLPSA-N
MW273.34 g/mol
LogP2.61
Rot. Bonds4

About 4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide

4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide (PubChem CID 108911862) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide
PubChem CID108911862
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)N/C=C/C2CCCC2)cc1
InChIInChI=1S/C15H19N3O2/c16-14(19)12-5-7-13(8-6-12)18-15(20)17-10-9-11-3-1-2-4-11/h5-11H,1-4H2,(H2,16,19)(H2,17,18,20)/b10-9+
InChIKeyOJNWAIQHWXBDSU-MDZDMXLPSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911622
1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
CID 108911993
4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzenesulfonic acid
CID 108911625
ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate
CID 108915686
[4-[[(E)-2-cyclohexylethenyl]carbamoylamino]phenyl] thiocyanate
CID 108912202
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912236
1-[(E)-2-cyclopropylethenyl]-3-(4-nitrophenyl)urea
CID 108915764
1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
CID 108912229
1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
CID 108915883
1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea
CID 108911860
4-(oxan-4-ylidenemethylcarbamoylamino)benzamide
CID 108913299
1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911970

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide?
The IUPAC name of 4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide (CID 108911862) is 4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide.
What is the SMILES notation for 4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide?
The canonical SMILES for 4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide is NC(=O)c1ccc(NC(=O)N/C=C/C2CCCC2)cc1.
What is the InChIKey of 4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide?
The InChIKey is OJNWAIQHWXBDSU-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-14(19)12-5-7-13(8-6-12)18-15(20)17-10-9-11-3-1-2-4-11/h5-11H,1-4H2,(H2,16,19)(H2,17,18,20)/b10-9+.
What are the key properties of 4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide?
4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide is sourced from PubChem (CID 108911862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).