benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate

C22H25NO2 — CID 102188161

IUPACbenzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC[C@H](C=C)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H25NO2/c1-3-16-23(22(24)25-18-19-11-7-5-8-12-19)17-15-20(4-2)21-13-9-6-10-14-21/h3-14,20H,1-2,15-18H2/t20-/m0/s1
InChIKeyCKGGATCQBMFHIH-FQEVSTJZSA-N
MW335.45 g/mol
LogP5.17
Rot. Bonds9

About benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate

benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate (PubChem CID 102188161) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate
PubChem CID102188161
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Namebenzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC[C@H](C=C)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H25NO2/c1-3-16-23(22(24)25-18-19-11-7-5-8-12-19)17-15-20(4-2)21-13-9-6-10-14-21/h3-14,20H,1-2,15-18H2/t20-/m0/s1
InChIKeyCKGGATCQBMFHIH-FQEVSTJZSA-N
XLogP5.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
ethyl 3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
CID 89387456
benzyl N-[N'-(1-phenylprop-2-enyl)carbamimidoyl]-N-prop-2-enylcarbamate
CID 25185228
benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate
CID 143655174
benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate
CID 59728985
3-[but-3-enyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 101472083
2-[phenylmethoxycarbonyl(prop-2-enyl)amino]pent-4-enoic acid
CID 70560265
benzyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(1S)-1-phenylprop-2-enyl]carbamate
CID 101429847
benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate
CID 118230381
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl but-3-enoate;1-phenylprop-2-en-1-ol
CID 68773342
[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate?
The IUPAC name of benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate (CID 102188161) is benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate?
The canonical SMILES for benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate is C=CCN(CC[C@H](C=C)c1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate?
The InChIKey is CKGGATCQBMFHIH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-16-23(22(24)25-18-19-11-7-5-8-12-19)17-15-20(4-2)21-13-9-6-10-14-21/h3-14,20H,1-2,15-18H2/t20-/m0/s1.
What are the key properties of benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate?
benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate has a molecular weight of 335.45 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 102188161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).