benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate

C18H25NO2 — CID 118230381

IUPACbenzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate
SMILESC=CCCC(C)(C)N(CC=C)C(=O)OCc1ccccc1
InChIInChI=1S/C18H25NO2/c1-5-7-13-18(3,4)19(14-6-2)17(20)21-15-16-11-9-8-10-12-16/h5-6,8-12H,1-2,7,13-15H2,3-4H3
InChIKeyPYTZXXZUXCNYMV-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.56
Rot. Bonds8

About benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate

benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate (PubChem CID 118230381) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namebenzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate
PubChem CID118230381
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Namebenzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate
SMILESC=CCCC(C)(C)N(CC=C)C(=O)OCc1ccccc1
InChIInChI=1S/C18H25NO2/c1-5-7-13-18(3,4)19(14-6-2)17(20)21-15-16-11-9-8-10-12-16/h5-6,8-12H,1-2,7,13-15H2,3-4H3
InChIKeyPYTZXXZUXCNYMV-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.56
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

methyl 2-[chloro(difluoro)methyl]-2-[phenylmethoxycarbonyl(prop-2-enyl)amino]hex-5-enoate
CID 10960403
benzyl 3,3-dimethylhept-6-enoate
CID 158520959
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate
CID 143655174
3-[but-3-enyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 101472083
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoic acid
CID 10643364
methyl 2-[phenylmethoxycarbonyl(prop-2-enyl)amino]prop-2-enoate
CID 68854413
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
ethyl 3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
CID 89387456
benzyl N-[(1R,6R)-6-ethenylcyclohexa-2,4-dien-1-yl]-N-hydroxycarbamate
CID 102346880
2-[phenylmethoxycarbonyl(prop-2-enyl)amino]pent-4-enoic acid
CID 70560265
benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate
CID 102188161

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate?
The IUPAC name of benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate (CID 118230381) is benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate.
What is the SMILES notation for benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate?
The canonical SMILES for benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate is C=CCCC(C)(C)N(CC=C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate?
The InChIKey is PYTZXXZUXCNYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-7-13-18(3,4)19(14-6-2)17(20)21-15-16-11-9-8-10-12-16/h5-6,8-12H,1-2,7,13-15H2,3-4H3.
What are the key properties of benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate?
benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate has a molecular weight of 287.40 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methylhex-5-en-2-yl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 118230381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).