2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate

C19H25NO3 — CID 143369677

IUPAC2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate
SMILESC=CCC(COC(=O)NCCC=O)c1ccccc1C(C)C=C
InChIInChI=1S/C19H25NO3/c1-4-9-16(14-23-19(22)20-12-8-13-21)18-11-7-6-10-17(18)15(3)5-2/h4-7,10-11,13,15-16H,1-2,8-9,12,14H2,3H3,(H,20,22)
InChIKeyOWEASGFEELKNNO-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.95
Rot. Bonds10

About 2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate

2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate (PubChem CID 143369677) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate.

Molecular Properties

Compound Name2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate
PubChem CID143369677
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate
SMILESC=CCC(COC(=O)NCCC=O)c1ccccc1C(C)C=C
InChIInChI=1S/C19H25NO3/c1-4-9-16(14-23-19(22)20-12-8-13-21)18-11-7-6-10-17(18)15(3)5-2/h4-7,10-11,13,15-16H,1-2,8-9,12,14H2,3H3,(H,20,22)
InChIKeyOWEASGFEELKNNO-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-ylpent-4-enyl acetate
CID 68621021
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ethyl 2-[2-[2-(2-nitrophenyl)propoxycarbonylamino]ethylamino]acetate
CID 134865784
benzyl N-[3-hydroxy-1-oxo-1-(3-oxopropylamino)butan-2-yl]carbamate
CID 20759879
benzyl N-(3-methyl-2-oxohex-5-enyl)carbamate
CID 165468756
N-but-3-enyl-3-methyl-2-phenylpentanamide
CID 113466088
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
(3R)-3-(2-methoxyphenyl)-N-methylhex-5-enamide
CID 10537602
(3R)-3-(2-methoxyphenyl)hex-5-enoic acid
CID 10822802
methyl 2-[(1R)-1-aminobut-3-enyl]benzoate;hydrochloride
CID 171211058
prop-2-enyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571704

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate?
The IUPAC name of 2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate (CID 143369677) is 2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate.
What is the SMILES notation for 2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate?
The canonical SMILES for 2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate is C=CCC(COC(=O)NCCC=O)c1ccccc1C(C)C=C.
What is the InChIKey of 2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate?
The InChIKey is OWEASGFEELKNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-9-16(14-23-19(22)20-12-8-13-21)18-11-7-6-10-17(18)15(3)5-2/h4-7,10-11,13,15-16H,1-2,8-9,12,14H2,3H3,(H,20,22).
What are the key properties of 2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate?
2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate has a molecular weight of 315.41 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-en-2-ylphenyl)pent-4-enyl N-(3-oxopropyl)carbamate is sourced from PubChem (CID 143369677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).