[3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate

C23H26N2O3 — CID 11047098

IUPAC[3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H26N2O3/c1-24-23(26)28-22-10-5-7-18(15-22)17-25(2)13-6-14-27-21-12-11-19-8-3-4-9-20(19)16-21/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,24,26)
InChIKeyHWJZJOWEFUMSJX-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.46
Rot. Bonds8

About [3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate

[3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate (PubChem CID 11047098) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is [3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate
PubChem CID11047098
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name[3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H26N2O3/c1-24-23(26)28-22-10-5-7-18(15-22)17-25(2)13-6-14-27-21-12-11-19-8-3-4-9-20(19)16-21/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,24,26)
InChIKeyHWJZJOWEFUMSJX-UHFFFAOYSA-N
XLogP4.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propan-1-amine
CID 44430359
1-(2-(benzyloxy)naphthalen-1-yl)-N-methylmethanamine hydrochloride
CID 2964158
3-{[methyl(3-phenoxypropyl)amino]methyl}phenyl N-methylcarbamate
CID 10860441
3-({methyl[3-(4-phenylphenoxy)propyl]amino}methyl)phenyl N-methylcarbamate
CID 10927599
3-({[3-(3-benzylphenoxy)propyl](methyl)amino}methyl)phenyl N-methylcarbamate
CID 10927911
4-Methoxy-N-[(2-methoxyphenyl)methyl]-1-naphthalenemethanamine
CID 791864
N-benzyl-N-methyl-2-(2-naphthyloxy)acetamide
CID 833263
({2-[(4-Fluorobenzyl)oxy]-1-naphthyl}methyl)methylamine hydrochloride
CID 2974259
Naphthalen-2-yl cyclohexylcarbamate
CID 306585
N-benzyl-[2-(naphthalen-2-yloxy)-ethyl]amine
CID 10356158
N-[2-(3-(3-Aminomethylphenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 10427851
8-(prop-2-yn-1-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl N-ethyl-N-methylcarbamate
CID 10881826

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate?
The IUPAC name of [3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate (CID 11047098) is [3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate.
What is the SMILES notation for [3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate?
The canonical SMILES for [3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate is CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccccc3c2)c1.
What is the InChIKey of [3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate?
The InChIKey is HWJZJOWEFUMSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-24-23(26)28-22-10-5-7-18(15-22)17-25(2)13-6-14-27-21-12-11-19-8-3-4-9-20(19)16-21/h3-5,7-12,15-16H,6,13-14,17H2,1-2H3,(H,24,26).
What are the key properties of [3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate?
[3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate has a molecular weight of 378.47 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(3-naphthalen-2-yloxypropyl)amino]methyl]phenyl] N-methylcarbamate is sourced from PubChem (CID 11047098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).