2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide

C21H25N3O3 — CID 2567999

IUPAC2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C21H25N3O3/c1-24(13-20(25)22-17-7-4-8-19(12-17)27-2)14-21(26)23-18-10-9-15-5-3-6-16(15)11-18/h4,7-12H,3,5-6,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRTEIUPFUHZUXIB-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.69
Rot. Bonds7

About 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 2567999) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID2567999
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C21H25N3O3/c1-24(13-20(25)22-17-7-4-8-19(12-17)27-2)14-21(26)23-18-10-9-15-5-3-6-16(15)11-18/h4,7-12H,3,5-6,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRTEIUPFUHZUXIB-UHFFFAOYSA-N
XLogP2.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 2567999) is 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is RTEIUPFUHZUXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-24(13-20(25)22-17-7-4-8-19(12-17)27-2)14-21(26)23-18-10-9-15-5-3-6-16(15)11-18/h4,7-12H,3,5-6,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2567999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).