1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea

C20H25N3O — CID 175620808

IUPAC1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea
SMILESCN/C=C(/c1ccc(NC(=O)NCc2ccccc2)cc1)C(C)C
InChIInChI=1S/C20H25N3O/c1-15(2)19(14-21-3)17-9-11-18(12-10-17)23-20(24)22-13-16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H2,22,23,24)/b19-14+
InChIKeyJTXNRMXVLSPSGY-XMHGGMMESA-N
MW323.44 g/mol
LogP4.22
Rot. Bonds6

About 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea

1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea (PubChem CID 175620808) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea
PubChem CID175620808
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea
SMILESCN/C=C(/c1ccc(NC(=O)NCc2ccccc2)cc1)C(C)C
InChIInChI=1S/C20H25N3O/c1-15(2)19(14-21-3)17-9-11-18(12-10-17)23-20(24)22-13-16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H2,22,23,24)/b19-14+
InChIKeyJTXNRMXVLSPSGY-XMHGGMMESA-N
XLogP4.22
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea with MolForge

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Related Compounds

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1-(4-anilinophenyl)-3-benzylurea
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N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
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4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
CID 155612864
1-benzyl-3-(4-methylidenearsanylphenyl)urea
CID 158613945
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
1-[4-[(benzylcarbamothioylamino)methyl]phenyl]-3-propan-2-ylurea
CID 43077296
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea (CID 175620808) is 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea is CN/C=C(/c1ccc(NC(=O)NCc2ccccc2)cc1)C(C)C.
What is the InChIKey of 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea?
The InChIKey is JTXNRMXVLSPSGY-XMHGGMMESA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(2)19(14-21-3)17-9-11-18(12-10-17)23-20(24)22-13-16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H2,22,23,24)/b19-14+.
What are the key properties of 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea?
1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea has a molecular weight of 323.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea is sourced from PubChem (CID 175620808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).