(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate

C21H29ClN2O2 — CID 10270911

IUPAC(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate
SMILESCCCN(C)CC#CC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H29ClN2O2/c1-4-15-23(2)16-5-6-17-7-11-19(12-8-17)24(3)21(25)26-20-13-9-18(22)10-14-20/h9-10,13-14,17,19H,4,7-8,11-12,15-16H2,1-3H3
InChIKeyDGZLMTMEUDYGPO-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.67
Rot. Bonds5

About (4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate

(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate (PubChem CID 10270911) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is (4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate
PubChem CID10270911
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate
SMILESCCCN(C)CC#CC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H29ClN2O2/c1-4-15-23(2)16-5-6-17-7-11-19(12-8-17)24(3)21(25)26-20-13-9-18(22)10-14-20/h9-10,13-14,17,19H,4,7-8,11-12,15-16H2,1-3H3
InChIKeyDGZLMTMEUDYGPO-UHFFFAOYSA-N
XLogP4.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.67
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 (4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate?
The IUPAC name of (4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate (CID 10270911) is (4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate.
What is the SMILES notation for (4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate?
The canonical SMILES for (4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate is CCCN(C)CC#CC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate?
The InChIKey is DGZLMTMEUDYGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c1-4-15-23(2)16-5-6-17-7-11-19(12-8-17)24(3)21(25)26-20-13-9-18(22)10-14-20/h9-10,13-14,17,19H,4,7-8,11-12,15-16H2,1-3H3.
What are the key properties of (4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate?
(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate has a molecular weight of 376.93 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate is sourced from PubChem (CID 10270911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).