(4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate

C25H34N2O3 — CID 68615610

IUPAC(4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
SMILESC=CCN(C)CCCCCCOc1ccc(N(C)C(=O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C25H34N2O3/c1-5-18-26(3)19-8-6-7-9-20-29-23-16-12-22(13-17-23)27(4)25(28)30-24-14-10-21(2)11-15-24/h5,10-17H,1,6-9,18-20H2,2-4H3
InChIKeyOYZFTJJIUFNFBN-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.69
Rot. Bonds12

About (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate

(4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate (PubChem CID 68615610) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate.

Molecular Properties

Compound Name(4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
PubChem CID68615610
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name(4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
SMILESC=CCN(C)CCCCCCOc1ccc(N(C)C(=O)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C25H34N2O3/c1-5-18-26(3)19-8-6-7-9-20-29-23-16-12-22(13-17-23)27(4)25(28)30-24-14-10-21(2)11-15-24/h5,10-17H,1,6-9,18-20H2,2-4H3
InChIKeyOYZFTJJIUFNFBN-UHFFFAOYSA-N
XLogP5.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate with MolForge

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Related Compounds

(4-bromophenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68614365
tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68614271
2-methylpropyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68615144
1-methyl-4-[[methyl-[4-[5-[methyl(prop-2-enyl)amino]pentoxy]phenyl]sulfamoyl]amino]benzene
CID 68614320
methyl 2-[[methyl-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamoyl]-sulfanylamino]acetate
CID 87515888
ethyl 2-(sulfonylamino)acetate;N-methyl-6-(4-methylphenoxy)-N-prop-2-enylhexan-1-amine
CID 87515980
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone
CID 10981049
[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-phenylmethanone;hydrobromide
CID 45261576
1-methyl-1-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-3-phenylthiourea
CID 23446596
N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
CID 141046921
(4-bromophenyl)-[4-[4-[methyl(prop-2-enyl)amino]butoxy]phenyl]methanone
CID 19043715
5-fluoro-N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]-1H-indole-2-carboxamide
CID 90990305

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate?
The IUPAC name of (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate (CID 68615610) is (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate.
What is the SMILES notation for (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate?
The canonical SMILES for (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate is C=CCN(C)CCCCCCOc1ccc(N(C)C(=O)Oc2ccc(C)cc2)cc1.
What is the InChIKey of (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate?
The InChIKey is OYZFTJJIUFNFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-18-26(3)19-8-6-7-9-20-29-23-16-12-22(13-17-23)27(4)25(28)30-24-14-10-21(2)11-15-24/h5,10-17H,1,6-9,18-20H2,2-4H3.
What are the key properties of (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate?
(4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate has a molecular weight of 410.56 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate is sourced from PubChem (CID 68615610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).