[4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate

C16H22N2O2 — CID 22890

IUPAC[4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate
SMILESC=CCN(CC=C)c1c(C)cc(OC(=O)NC)cc1C
InChIInChI=1S/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19)
InChIKeyFBEHFRAORPEGFH-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.20
Rot. Bonds6

About [4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate

[4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate (PubChem CID 22890) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate
PubChem CID22890
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate
SMILESC=CCN(CC=C)c1c(C)cc(OC(=O)NC)cc1C
InChIInChI=1S/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19)
InChIKeyFBEHFRAORPEGFH-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate?
The IUPAC name of [4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate (CID 22890) is [4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate.
What is the SMILES notation for [4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate?
The canonical SMILES for [4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate is C=CCN(CC=C)c1c(C)cc(OC(=O)NC)cc1C.
What is the InChIKey of [4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate?
The InChIKey is FBEHFRAORPEGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-6-8-18(9-7-2)15-12(3)10-14(11-13(15)4)20-16(19)17-5/h6-7,10-11H,1-2,8-9H2,3-5H3,(H,17,19).
What are the key properties of [4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate?
[4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate has a molecular weight of 274.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(prop-2-enyl)amino]-3,5-dimethylphenyl] N-methylcarbamate is sourced from PubChem (CID 22890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).