Phenylmethyl N,N-di-2-propen-1-ylcarbamate

C14H17NO2 — CID 11470283

IUPACbenzyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OCC1=CC=CC=C1
InChIInChI=1S/C14H17NO2/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeySUXWDNPUFNAZOD-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.90
Rot. Bonds7

About Phenylmethyl N,N-di-2-propen-1-ylcarbamate

Phenylmethyl N,N-di-2-propen-1-ylcarbamate (PubChem CID 11470283) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is benzyl N,N-bis(prop-2-enyl)carbamate.

Molecular Properties

Compound NamePhenylmethyl N,N-di-2-propen-1-ylcarbamate
PubChem CID11470283
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namebenzyl N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)OCC1=CC=CC=C1
InChIInChI=1S/C14H17NO2/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeySUXWDNPUFNAZOD-UHFFFAOYSA-N
XLogP2.90
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity247

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.90
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 Cyanomethylcarbamate
CID 244143
Benzyl piperazine-1-carboxylate
CID 643495
Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
benzyl N-(2-bromoethyl)carbamate
CID 278694
benzyl N-methylcarbamate
CID 562265
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
N-Carbobenzoxy-1,6-diaminohexane Hydrochloride
CID 13196229
1-N-Cbz-3-pyrrolidinone
CID 561203
benzyl N-(prop-2-en-1-yl)carbamate
CID 562279
Benzyl 3-pyrroline-1-carboxylate
CID 643471

Frequently Asked Questions

What is the IUPAC name of Phenylmethyl N,N-di-2-propen-1-ylcarbamate?
The IUPAC name of Phenylmethyl N,N-di-2-propen-1-ylcarbamate (CID 11470283) is benzyl N,N-bis(prop-2-enyl)carbamate.
What is the SMILES notation for Phenylmethyl N,N-di-2-propen-1-ylcarbamate?
The canonical SMILES for Phenylmethyl N,N-di-2-propen-1-ylcarbamate is C=CCN(CC=C)C(=O)OCC1=CC=CC=C1.
What is the InChIKey of Phenylmethyl N,N-di-2-propen-1-ylcarbamate?
The InChIKey is SUXWDNPUFNAZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h3-9H,1-2,10-12H2.
What are the key properties of Phenylmethyl N,N-di-2-propen-1-ylcarbamate?
Phenylmethyl N,N-di-2-propen-1-ylcarbamate has a molecular weight of 231.29 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Phenylmethyl N,N-di-2-propen-1-ylcarbamate is sourced from PubChem (CID 11470283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).