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

C20H22N2O3 — CID 90551888

IUPACN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NCC#Cc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H22N2O3/c1-22(2)17-11-9-16(10-12-17)6-5-13-21-20(23)15-25-19-8-4-7-18(14-19)24-3/h4,7-12,14H,13,15H2,1-3H3,(H,21,23)
InChIKeyDTIRNIOAXHCCNE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.31
Rot. Bonds6

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

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 90551888) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide
PubChem CID90551888
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NCC#Cc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H22N2O3/c1-22(2)17-11-9-16(10-12-17)6-5-13-21-20(23)15-25-19-8-4-7-18(14-19)24-3/h4,7-12,14H,13,15H2,1-3H3,(H,21,23)
InChIKeyDTIRNIOAXHCCNE-UHFFFAOYSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide
CID 90551830
N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90550076
N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90548986
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide
CID 94614124
4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90549800
2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide
CID 90580499
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
1-(2,3-dimethoxyphenyl)-3-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]urea
CID 90554302
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide (CID 90551888) is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NCC#Cc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is DTIRNIOAXHCCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22(2)17-11-9-16(10-12-17)6-5-13-21-20(23)15-25-19-8-4-7-18(14-19)24-3/h4,7-12,14H,13,15H2,1-3H3,(H,21,23).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide?
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 90551888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).