[3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate

C17H24N2O2 — CID 11120913

IUPAC[3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate
SMILESC#CCN(C)C(C)Cc1cccc(OC(=O)N(C)CC)c1
InChIInChI=1S/C17H24N2O2/c1-6-11-19(5)14(3)12-15-9-8-10-16(13-15)21-17(20)18(4)7-2/h1,8-10,13-14H,7,11-12H2,2-5H3
InChIKeyYOOMCQRTUQTUJB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.63
Rot. Bonds6

About [3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate

[3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate (PubChem CID 11120913) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate
PubChem CID11120913
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate
SMILESC#CCN(C)C(C)Cc1cccc(OC(=O)N(C)CC)c1
InChIInChI=1S/C17H24N2O2/c1-6-11-19(5)14(3)12-15-9-8-10-16(13-15)21-17(20)18(4)7-2/h1,8-10,13-14H,7,11-12H2,2-5H3
InChIKeyYOOMCQRTUQTUJB-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate?
The IUPAC name of [3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate (CID 11120913) is [3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate is C#CCN(C)C(C)Cc1cccc(OC(=O)N(C)CC)c1.
What is the InChIKey of [3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate?
The InChIKey is YOOMCQRTUQTUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-11-19(5)14(3)12-15-9-8-10-16(13-15)21-17(20)18(4)7-2/h1,8-10,13-14H,7,11-12H2,2-5H3.
What are the key properties of [3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate?
[3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate has a molecular weight of 288.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 11120913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).