2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide

C18H18N2O2 — CID 91652977

IUPAC2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide
SMILESC#CCN(C)CC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-3-13-20(2)14-18(21)19-16-11-7-8-12-17(16)22-15-9-5-4-6-10-15/h1,4-12H,13-14H2,2H3,(H,19,21)
InChIKeyRUPSECPIAHPMMH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.98
Rot. Bonds6

About 2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide

2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide (PubChem CID 91652977) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide
PubChem CID91652977
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide
SMILESC#CCN(C)CC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-3-13-20(2)14-18(21)19-16-11-7-8-12-17(16)22-15-9-5-4-6-10-15/h1,4-12H,13-14H2,2H3,(H,19,21)
InChIKeyRUPSECPIAHPMMH-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.98
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

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 109001458
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 26386856
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 31993096
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
2-(N-acetyl-4-methylanilino)-N-(2-phenoxyphenyl)acetamide
CID 113167825
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 24583785
N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide
CID 99835722
2-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113148410
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 18268985
N-(2-phenoxyphenyl)decanamide
CID 4091110

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide (CID 91652977) is 2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide is C#CCN(C)CC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is RUPSECPIAHPMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-13-20(2)14-18(21)19-16-11-7-8-12-17(16)22-15-9-5-4-6-10-15/h1,4-12H,13-14H2,2H3,(H,19,21).
What are the key properties of 2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide?
2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 91652977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).