1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea

C14H20N2O — CID 108910510

IUPAC1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC/C=C/NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H20N2O/c1-4-5-10-15-14(17)16-13-8-6-12(7-9-13)11(2)3/h5-11H,4H2,1-3H3,(H2,15,16,17)/b10-5+
InChIKeyKZABSTJYCDNPIQ-BJMVGYQFSA-N
MW232.33 g/mol
LogP3.86
Rot. Bonds4

About 1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea

1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 108910510) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID108910510
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC/C=C/NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H20N2O/c1-4-5-10-15-14(17)16-13-8-6-12(7-9-13)11(2)3/h5-11H,4H2,1-3H3,(H2,15,16,17)/b10-5+
InChIKeyKZABSTJYCDNPIQ-BJMVGYQFSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propan-2-ylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909398
4-[[(E)-but-1-enyl]carbamoylamino]benzenesulfonic acid
CID 108910506
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
1-(4-bromo-3-methylphenyl)-3-[(E)-but-1-enyl]urea
CID 108910801
2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide
CID 54298724
1-methoxy-3-(4-propan-2-ylphenyl)urea
CID 134178123
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62669376
3-(4-propan-2-ylphenyl)-1,1-dipropylthiourea
CID 19652992
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
methyl (2R,3S)-3-methyl-2-[(4-propan-2-ylphenyl)carbamoylamino]pentanoate
CID 7678082

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea (CID 108910510) is 1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea is CC/C=C/NC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is KZABSTJYCDNPIQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-5-10-15-14(17)16-13-8-6-12(7-9-13)11(2)3/h5-11H,4H2,1-3H3,(H2,15,16,17)/b10-5+.
What are the key properties of 1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea?
1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 232.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 108910510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).