tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate

C15H21NO3 — CID 16687001

IUPACtert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate
SMILES[2H]/C=C(\CNC(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO3/c1-11(10-16-14(17)19-15(2,3)4)12-6-8-13(18-5)9-7-12/h6-9H,1,10H2,2-5H3,(H,16,17)/i1D/b11-1+
InChIKeyGJZXCHLNUIQBFK-KYOWOKMGSA-N
MW264.34 g/mol
LogP3.23
Rot. Bonds4

About tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate

tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate (PubChem CID 16687001) has the molecular formula C15H21NO3 and a molecular weight of 264.34 g/mol. Its IUPAC name is tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate
PubChem CID16687001
Molecular FormulaC15H21NO3
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Nametert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate
SMILES[2H]/C=C(\CNC(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C15H21NO3/c1-11(10-16-14(17)19-15(2,3)4)12-6-8-13(18-5)9-7-12/h6-9H,1,10H2,2-5H3,(H,16,17)/i1D/b11-1+
InChIKeyGJZXCHLNUIQBFK-KYOWOKMGSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-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

tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576936
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
tert-butyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596382
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
tert-butyl N-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]carbamate
CID 56604348
tert-butyl N-[[amino-(4-methoxyphenyl)methylidene]amino]carbamate
CID 57363286
tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
CID 101496427
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate (CID 16687001) is tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate is [2H]/C=C(\CNC(=O)OC(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is GJZXCHLNUIQBFK-KYOWOKMGSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(10-16-14(17)19-15(2,3)4)12-6-8-13(18-5)9-7-12/h6-9H,1,10H2,2-5H3,(H,16,17)/i1D/b11-1+.
What are the key properties of tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate has a molecular weight of 264.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 16687001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).