2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide

C21H23ClN2O2 — CID 90551885

IUPAC2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide
SMILESCN(C)c1ccc(C#CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-21(2,26-19-13-9-17(22)10-14-19)20(25)23-15-5-6-16-7-11-18(12-8-16)24(3)4/h7-14H,15H2,1-4H3,(H,23,25)
InChIKeyAYLDLDHWHDHYCY-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.73
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide (PubChem CID 90551885) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide
PubChem CID90551885
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide
SMILESCN(C)c1ccc(C#CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-21(2,26-19-13-9-17(22)10-14-19)20(25)23-15-5-6-16-7-11-18(12-8-16)24(3)4/h7-14H,15H2,1-4H3,(H,23,25)
InChIKeyAYLDLDHWHDHYCY-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide 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

tert-butyl N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]carbamate
CID 90552009
1-tert-butyl-3-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]urea
CID 90554279
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
CID 134035338
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 43092383
2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide
CID 100519658
2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 103919455
2-[2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241330
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
methyl 4-[3-[4-(dimethylamino)phenyl]prop-2-ynylcarbamoyl]benzoate
CID 90551779

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide (CID 90551885) is 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide is CN(C)c1ccc(C#CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide?
The InChIKey is AYLDLDHWHDHYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-21(2,26-19-13-9-17(22)10-14-19)20(25)23-15-5-6-16-7-11-18(12-8-16)24(3)4/h7-14H,15H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide has a molecular weight of 370.88 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-methylpropanamide is sourced from PubChem (CID 90551885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).