1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea

C16H24N2O — CID 108910908

IUPAC1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea
SMILESCC(C)/C=C/NC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C16H24N2O/c1-13(2)10-11-17-16(19)18(14(3)4)12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3,(H,17,19)/b11-10+
InChIKeyUXIALNGBAJKHDJ-ZHACJKMWSA-N
MW260.38 g/mol
LogP3.78
Rot. Bonds5

About 1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea

1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea (PubChem CID 108910908) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea
PubChem CID108910908
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea
SMILESCC(C)/C=C/NC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C16H24N2O/c1-13(2)10-11-17-16(19)18(14(3)4)12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3,(H,17,19)/b11-10+
InChIKeyUXIALNGBAJKHDJ-ZHACJKMWSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylurea
CID 108907948
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 61266533
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
N-benzyl-N-propan-2-ylacetamide
CID 23534449
4-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 80537936
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea (CID 108910908) is 1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea is CC(C)/C=C/NC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of 1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea?
The InChIKey is UXIALNGBAJKHDJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)10-11-17-16(19)18(14(3)4)12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3,(H,17,19)/b11-10+.
What are the key properties of 1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea?
1-benzyl-3-[(E)-3-methylbut-1-enyl]-1-propan-2-ylurea has a molecular weight of 260.38 g/mol, XLogP of 3.78, 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)-3-methylbut-1-enyl]-1-propan-2-ylurea is sourced from PubChem (CID 108910908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).