N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride

About N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride

N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride (PubChem CID 66882179) has the molecular formula C28H40Cl2N6O3 and a molecular weight of 579.57 g/mol. Its IUPAC name is N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride.

Molecular Properties

Compound Name	N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride
PubChem CID	66882179
Molecular Formula	C28H40Cl2N6O3
Molecular Weight	579.57 g/mol
Exact Mass	578.25
IUPAC Name	N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride
SMILES	CCNCCN(CC(=O)N(C)N1Cc2ccccc2C1)C(=O)CNc1ccc(N2CCCC2=O)cc1C.Cl.Cl
InChI	InChI=1S/C28H38N6O3.2ClH/c1-4-29-13-15-32(20-28(37)31(3)33-18-22-8-5-6-9-23(22)19-33)27(36)17-30-25-12-11-24(16-21(25)2)34-14-7-10-26(34)35;;/h5-6,8-9,11-12,16,29-30H,4,7,10,13-15,17-20H2,1-3H3;2*1H
InChIKey	RRXKCNWWSHUEPG-UHFFFAOYSA-N
XLogP	3.20
TPSA	88.23 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	11
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.57
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride?

The IUPAC name of N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride (CID 66882179) is N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride.

What is the SMILES notation for N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride?

The canonical SMILES for N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride is CCNCCN(CC(=O)N(C)N1Cc2ccccc2C1)C(=O)CNc1ccc(N2CCCC2=O)cc1C.Cl.Cl.

What is the InChIKey of N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride?

The InChIKey is RRXKCNWWSHUEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O3.2ClH/c1-4-29-13-15-32(20-28(37)31(3)33-18-22-8-5-6-9-23(22)19-33)27(36)17-30-25-12-11-24(16-21(25)2)34-14-7-10-26(34)35;;/h5-6,8-9,11-12,16,29-30H,4,7,10,13-15,17-20H2,1-3H3;2*1H.

What are the key properties of N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride?

N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride has a molecular weight of 579.57 g/mol, XLogP of 3.20, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-N-[2-(ethylamino)ethyl]-2-[2-methyl-4-(2-oxopyrrolidin-1-yl)anilino]acetamide;dihydrochloride is sourced from PubChem (CID 66882179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).