N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide

C20H26N2O2 — CID 3477539

IUPACN-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(NCCC(C)C)c2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-15(2)12-13-21-19(16-8-5-4-6-9-16)20(23)22-17-10-7-11-18(14-17)24-3/h4-11,14-15,19,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyTUGIETVITRMFQM-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.01
Rot. Bonds8

About N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide

N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide (PubChem CID 3477539) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide
PubChem CID3477539
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide
SMILESCOc1cccc(NC(=O)C(NCCC(C)C)c2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-15(2)12-13-21-19(16-8-5-4-6-9-16)20(23)22-17-10-7-11-18(14-17)24-3/h4-11,14-15,19,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyTUGIETVITRMFQM-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide (CID 3477539) is N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide is COc1cccc(NC(=O)C(NCCC(C)C)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide?
The InChIKey is TUGIETVITRMFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)12-13-21-19(16-8-5-4-6-9-16)20(23)22-17-10-7-11-18(14-17)24-3/h4-11,14-15,19,21H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide?
N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide has a molecular weight of 326.44 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(3-methylbutylamino)-2-phenylacetamide is sourced from PubChem (CID 3477539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).