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

C21H30N2O2 — CID 10915860

IUPAC[3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate
SMILESC#CCN(C)[C@H](C)Cc1cccc(OC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C21H30N2O2/c1-5-14-22(3)17(2)15-18-10-9-13-20(16-18)25-21(24)23(4)19-11-7-6-8-12-19/h1,9-10,13,16-17,19H,6-8,11-12,14-15H2,2-4H3/t17-/m1/s1
InChIKeyFTMQGFFVKGHYEQ-QGZVFWFLSA-N
MW342.48 g/mol
LogP3.95
Rot. Bonds6

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

[3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate (PubChem CID 10915860) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is [3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate
PubChem CID10915860
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name[3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate
SMILESC#CCN(C)[C@H](C)Cc1cccc(OC(=O)N(C)C2CCCCC2)c1
InChIInChI=1S/C21H30N2O2/c1-5-14-22(3)17(2)15-18-10-9-13-20(16-18)25-21(24)23(4)19-11-7-6-8-12-19/h1,9-10,13,16-17,19H,6-8,11-12,14-15H2,2-4H3/t17-/m1/s1
InChIKeyFTMQGFFVKGHYEQ-QGZVFWFLSA-N
XLogP3.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.95
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-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate?
The IUPAC name of [3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate (CID 10915860) is [3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate.
What is the SMILES notation for [3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate?
The canonical SMILES for [3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate is C#CCN(C)[C@H](C)Cc1cccc(OC(=O)N(C)C2CCCCC2)c1.
What is the InChIKey of [3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate?
The InChIKey is FTMQGFFVKGHYEQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-5-14-22(3)17(2)15-18-10-9-13-20(16-18)25-21(24)23(4)19-11-7-6-8-12-19/h1,9-10,13,16-17,19H,6-8,11-12,14-15H2,2-4H3/t17-/m1/s1.
What are the key properties of [3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate?
[3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate has a molecular weight of 342.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R)-2-[methyl(prop-2-ynyl)amino]propyl]phenyl] N-cyclohexyl-N-methylcarbamate is sourced from PubChem (CID 10915860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).