tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate

C24H35NO6 — CID 162405020

IUPACtert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate
SMILESC=CC[C@]1(CCN(C)C(=O)OC(C)(C)C)C(=O)CCc2ccc(OC)c(OCOC)c21
InChIInChI=1S/C24H35NO6/c1-8-13-24(14-15-25(5)22(27)31-23(2,3)4)19(26)12-10-17-9-11-18(29-7)21(20(17)24)30-16-28-6/h8-9,11H,1,10,12-16H2,2-7H3/t24-/m0/s1
InChIKeyWVYKEMWIYFYTPF-DEOSSOPVSA-N
MW433.55 g/mol
LogP4.26
Rot. Bonds9

About tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate (PubChem CID 162405020) has the molecular formula C24H35NO6 and a molecular weight of 433.55 g/mol. Its IUPAC name is tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate
PubChem CID162405020
Molecular FormulaC24H35NO6
Molecular Weight433.55 g/mol
Exact Mass433.25
IUPAC Nametert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate
SMILESC=CC[C@]1(CCN(C)C(=O)OC(C)(C)C)C(=O)CCc2ccc(OC)c(OCOC)c21
InChIInChI=1S/C24H35NO6/c1-8-13-24(14-15-25(5)22(27)31-23(2,3)4)19(26)12-10-17-9-11-18(29-7)21(20(17)24)30-16-28-6/h8-9,11H,1,10,12-16H2,2-7H3/t24-/m0/s1
InChIKeyWVYKEMWIYFYTPF-DEOSSOPVSA-N
XLogP4.26
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate 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-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl N-[2-[2-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,3-dimethoxyphenyl]phenyl]ethyl]-N-methylcarbamate
CID 10950758
tert-butyl 3,5-dioxo-4,4-bis(prop-2-enyl)piperidine-1-carboxylate
CID 171548647
1-[3,6-dimethoxy-2-(methoxymethoxy)phenyl]-1-hydroxybut-3-en-2-one
CID 101416110
tert-butyl N-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-N-methylcarbamate
CID 121359639
tert-butyl N-[3-(4-formylphenoxy)propyl]-N-methylcarbamate
CID 157022008
tert-butyl N-[4-(4-methoxyphenyl)-4-oxobutyl]-N-methylcarbamate
CID 138972967
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]-N-methylcarbamate
CID 86627416
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
CID 10083475
tert-butyl N-methyl-N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate
CID 118875925
tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate
CID 90054827
tert-butyl N-[[4-(6,7-dimethoxyquinolin-4-yl)phenyl]methyl]-N-methylcarbamate
CID 154630901

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate (CID 162405020) is tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate is C=CC[C@]1(CCN(C)C(=O)OC(C)(C)C)C(=O)CCc2ccc(OC)c(OCOC)c21.
What is the InChIKey of tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate?
The InChIKey is WVYKEMWIYFYTPF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H35NO6/c1-8-13-24(14-15-25(5)22(27)31-23(2,3)4)19(26)12-10-17-9-11-18(29-7)21(20(17)24)30-16-28-6/h8-9,11H,1,10,12-16H2,2-7H3/t24-/m0/s1.
What are the key properties of tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate has a molecular weight of 433.55 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1R)-7-methoxy-8-(methoxymethoxy)-2-oxo-1-prop-2-enyl-3,4-dihydronaphthalen-1-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 162405020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).