tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate

C16H23NO4 — CID 134944637

IUPACtert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate
SMILESC=C[C@H](c1ccccc1OC)N(OC)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-7-13(12-10-8-9-11-14(12)19-5)17(20-6)15(18)21-16(2,3)4/h7-11,13H,1H2,2-6H3/t13-/m1/s1
InChIKeyBRLAPMUPFNPBLI-CYBMUJFWSA-N
MW293.36 g/mol
LogP3.72
Rot. Bonds5

About tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate

tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate (PubChem CID 134944637) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate
PubChem CID134944637
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate
SMILESC=C[C@H](c1ccccc1OC)N(OC)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-7-13(12-10-8-9-11-14(12)19-5)17(20-6)15(18)21-16(2,3)4/h7-11,13H,1H2,2-6H3/t13-/m1/s1
InChIKeyBRLAPMUPFNPBLI-CYBMUJFWSA-N
XLogP3.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-methoxy-N-[(1R)-1-(2-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-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
tert-butyl N-[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]-N-[(1S)-1-naphthalen-1-ylprop-2-enyl]carbamimidoyl]-N-[(1S)-1-naphthalen-1-ylprop-2-enyl]carbamate
CID 25185507
tert-butyl N-[(2S)-1-hydroxybut-3-en-2-yl]-N-phenylmethoxycarbamate
CID 101489107
tert-butyl [1-(2-methoxyphenyl)-2-methylidene-3-oxobutyl] carbonate
CID 53382208
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
tert-butyl N-[(1S)-1-(4-bromophenyl)prop-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 23630653
benzyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(1S)-1-phenylprop-2-enyl]carbamate
CID 101429847
tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate
CID 142451328
tert-butyl N-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-[(1S)-1-phenylprop-2-enyl]carbamate
CID 25185789
(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
1-(1-chloroprop-2-enyl)-2-methoxybenzene
CID 139328621
tert-butyl N-(3-fluoroprop-2-enyl)-N-(2-methoxyphenyl)carbamate
CID 70429366

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate (CID 134944637) is tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate is C=C[C@H](c1ccccc1OC)N(OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is BRLAPMUPFNPBLI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO4/c1-7-13(12-10-8-9-11-14(12)19-5)17(20-6)15(18)21-16(2,3)4/h7-11,13H,1H2,2-6H3/t13-/m1/s1.
What are the key properties of tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate?
tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methoxy-N-[(1R)-1-(2-methoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 134944637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).