1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea

C22H26N2O — CID 108914017

IUPAC1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea
SMILESC/C(=C\NC(=O)N(Cc1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C22H26N2O/c1-18(20-12-8-9-13-20)16-23-22(25)24(21-14-6-3-7-15-21)17-19-10-4-2-5-11-19/h2-7,10-11,14-16,20H,8-9,12-13,17H2,1H3,(H,23,25)/b18-16+
InChIKeyIWXNMVOBVLEOJI-FBMGVBCBSA-N
MW334.46 g/mol
LogP5.50
Rot. Bonds5

About 1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea

1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea (PubChem CID 108914017) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea.

Molecular Properties

Compound Name1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea
PubChem CID108914017
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea
SMILESC/C(=C\NC(=O)N(Cc1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C22H26N2O/c1-18(20-12-8-9-13-20)16-23-22(25)24(21-14-6-3-7-15-21)17-19-10-4-2-5-11-19/h2-7,10-11,14-16,20H,8-9,12-13,17H2,1H3,(H,23,25)/b18-16+
InChIKeyIWXNMVOBVLEOJI-FBMGVBCBSA-N
XLogP5.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-phenylurea
CID 108911461
1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea
CID 108913957
N-benzyl-3-(cyclopentylamino)-N-phenylpropanamide
CID 109013738
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
4-[[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]methyl]benzoic acid
CID 108913960
1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea
CID 108914026
1-cyclohexyl-2-(dibenzylamino)ethanone
CID 130167125
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46052504
N-[2-(N-benzylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000338
N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
CID 42697729

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea?
The IUPAC name of 1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea (CID 108914017) is 1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea.
What is the SMILES notation for 1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea?
The canonical SMILES for 1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea is C/C(=C\NC(=O)N(Cc1ccccc1)c1ccccc1)C1CCCC1.
What is the InChIKey of 1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea?
The InChIKey is IWXNMVOBVLEOJI-FBMGVBCBSA-N. The full InChI is InChI=1S/C22H26N2O/c1-18(20-12-8-9-13-20)16-23-22(25)24(21-14-6-3-7-15-21)17-19-10-4-2-5-11-19/h2-7,10-11,14-16,20H,8-9,12-13,17H2,1H3,(H,23,25)/b18-16+.
What are the key properties of 1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea?
1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea has a molecular weight of 334.46 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-2-cyclopentylprop-1-enyl]-1-phenylurea is sourced from PubChem (CID 108914017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).