ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate

C15H21NO2 — CID 125470309

IUPACethyl N-[(2S)-2-benzylpent-4-enyl]carbamate
SMILESC=CCC(CNC(=O)OCC)Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-8-14(12-16-15(17)18-4-2)11-13-9-6-5-7-10-13/h3,5-7,9-10,14H,1,4,8,11-12H2,2H3,(H,16,17)
InChIKeyFDEWPILIPHWXDN-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.17
Rot. Bonds7

About ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate

ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate (PubChem CID 125470309) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S)-2-benzylpent-4-enyl]carbamate
PubChem CID125470309
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl N-[(2S)-2-benzylpent-4-enyl]carbamate
SMILESC=CCC(CNC(=O)OCC)Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-8-14(12-16-15(17)18-4-2)11-13-9-6-5-7-10-13/h3,5-7,9-10,14H,1,4,8,11-12H2,2H3,(H,16,17)
InChIKeyFDEWPILIPHWXDN-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl 3-phenyl-2-(prop-2-enylamino)propanoate
CID 55063338
ethyl (2S)-2-(2-nitropent-4-enoylamino)-3-phenylpropanoate
CID 15126521
ethyl 3-oxo-4-phenylhept-6-enoate
CID 11746930
benzyl N-(3-methyl-2-oxohex-5-enyl)carbamate
CID 165468756
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
diethyl 2-[(2R)-6-phenylmethoxy-2-prop-2-enylhexyl]propanedioate
CID 10475514
ethyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 91156636
ethyl (4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-(4-phenylphenyl)pentanoate
CID 91309476
ethyl 3-benzyl-4-oxobutanoate
CID 54373110
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
ethyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
CID 102520251

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate?
The IUPAC name of ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate (CID 125470309) is ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate.
What is the SMILES notation for ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate?
The canonical SMILES for ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate is C=CCC(CNC(=O)OCC)Cc1ccccc1.
What is the InChIKey of ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate?
The InChIKey is FDEWPILIPHWXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-8-14(12-16-15(17)18-4-2)11-13-9-6-5-7-10-13/h3,5-7,9-10,14H,1,4,8,11-12H2,2H3,(H,16,17).
What are the key properties of ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate?
ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate has a molecular weight of 247.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S)-2-benzylpent-4-enyl]carbamate is sourced from PubChem (CID 125470309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).