1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea

C17H25N3O — CID 108914026

IUPAC1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea
SMILESC/C(=C\NC(=O)Nc1cccc(N(C)C)c1)C1CCCC1
InChIInChI=1S/C17H25N3O/c1-13(14-7-4-5-8-14)12-18-17(21)19-15-9-6-10-16(11-15)20(2)3/h6,9-12,14H,4-5,7-8H2,1-3H3,(H2,18,19,21)/b13-12+
InChIKeyMNJAYLNZMKYJHQ-OUKQBFOZSA-N
MW287.41 g/mol
LogP3.97
Rot. Bonds4

About 1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea

1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea (PubChem CID 108914026) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea
PubChem CID108914026
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea
SMILESC/C(=C\NC(=O)Nc1cccc(N(C)C)c1)C1CCCC1
InChIInChI=1S/C17H25N3O/c1-13(14-7-4-5-8-14)12-18-17(21)19-15-9-6-10-16(11-15)20(2)3/h6,9-12,14H,4-5,7-8H2,1-3H3,(H2,18,19,21)/b13-12+
InChIKeyMNJAYLNZMKYJHQ-OUKQBFOZSA-N
XLogP3.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzoic acid
CID 108913800
1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea
CID 108913957
1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
CID 108909610
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108914073
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,6-difluorophenyl)urea
CID 108913961
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905529
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
2-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzamide
CID 108914030
2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide
CID 115377162
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea
CID 108914116
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea?
The IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea (CID 108914026) is 1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea is C/C(=C\NC(=O)Nc1cccc(N(C)C)c1)C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea?
The InChIKey is MNJAYLNZMKYJHQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(14-7-4-5-8-14)12-18-17(21)19-15-9-6-10-16(11-15)20(2)3/h6,9-12,14H,4-5,7-8H2,1-3H3,(H2,18,19,21)/b13-12+.
What are the key properties of 1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea?
1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea has a molecular weight of 287.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylprop-1-enyl]-3-[3-(dimethylamino)phenyl]urea is sourced from PubChem (CID 108914026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).