N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide

C20H22N2O2 — CID 90552168

IUPACN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC#Cc2ccccc2N(C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-16-10-12-18(13-11-16)24-15-20(23)21-14-6-8-17-7-4-5-9-19(17)22(2)3/h4-5,7,9-13H,14-15H2,1-3H3,(H,21,23)
InChIKeyOAILJFDNQPMKBF-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.61
Rot. Bonds5

About N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide (PubChem CID 90552168) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide
PubChem CID90552168
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC#Cc2ccccc2N(C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-16-10-12-18(13-11-16)24-15-20(23)21-14-6-8-17-7-4-5-9-19(17)22(2)3/h4-5,7,9-13H,14-15H2,1-3H3,(H,21,23)
InChIKeyOAILJFDNQPMKBF-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[3-[[2-(4-methylphenoxy)acetyl]amino]prop-1-ynyl]benzamide
CID 90550364
N-[2-(dimethylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 39130421
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
CID 90552073
2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
CID 90547905
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2,2-dimethylpropanamide
CID 90552074
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide
CID 90552151
2-phenoxy-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 90550785
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea
CID 90554402
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90552237
N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90550076
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-phenylpropyl)urea
CID 90554436
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide
CID 90552148

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide (CID 90552168) is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC#Cc2ccccc2N(C)C)cc1.
What is the InChIKey of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is OAILJFDNQPMKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-16-10-12-18(13-11-16)24-15-20(23)21-14-6-8-17-7-4-5-9-19(17)22(2)3/h4-5,7,9-13H,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide?
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 90552168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).