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

C22H32N2O3 — CID 69198913

IUPAC(4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate
SMILESCCCN(C)CC#CC1CCC(N(C)C(=O)Oc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H32N2O3/c1-5-16-23(2)17-6-7-18-8-10-19(11-9-18)24(3)22(25)27-21-14-12-20(26-4)13-15-21/h12-15,18-19H,5,8-11,16-17H2,1-4H3
InChIKeyJGZJDZGKCXJIGQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.03
Rot. Bonds6

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

(4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate (PubChem CID 69198913) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate
PubChem CID69198913
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate
SMILESCCCN(C)CC#CC1CCC(N(C)C(=O)Oc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H32N2O3/c1-5-16-23(2)17-6-7-18-8-10-19(11-9-18)24(3)22(25)27-21-14-12-20(26-4)13-15-21/h12-15,18-19H,5,8-11,16-17H2,1-4H3
InChIKeyJGZJDZGKCXJIGQ-UHFFFAOYSA-N
XLogP4.03
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate
CID 10270911
(4-chlorophenyl) N-[4-[4-(dimethylamino)but-1-ynyl]cyclohexyl]-N-methylcarbamate
CID 69196484
(4-chlorophenyl) N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]but-1-ynyl]cyclohexyl]carbamate
CID 69195206
[4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate
CID 70020545
(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
CID 70021465
[4-(trifluoromethyl)phenyl] N-[4-[4-(dimethoxyamino)butoxy]cyclohexyl]-N-methylcarbamate
CID 139983013
(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride
CID 45259199
(4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
CID 69194852
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
(4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate
CID 69196917
(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate
CID 54188372
(4-bromophenyl) N-methyl-N-[4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexyl]carbamate
CID 69194887

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate (CID 69198913) is (4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate is CCCN(C)CC#CC1CCC(N(C)C(=O)Oc2ccc(OC)cc2)CC1.
What is the InChIKey of (4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate?
The InChIKey is JGZJDZGKCXJIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-5-16-23(2)17-6-7-18-8-10-19(11-9-18)24(3)22(25)27-21-14-12-20(26-4)13-15-21/h12-15,18-19H,5,8-11,16-17H2,1-4H3.
What are the key properties of (4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate?
(4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate has a molecular weight of 372.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate is sourced from PubChem (CID 69198913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).