(3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate

C31H37Cl2N3O4 — CID 142601859

IUPAC(3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
SMILESCCC1Cc2ccc(C3=CCN(C(=O)CN4CCOCC4)CC3)cc2C1N(C)C(=O)OCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C31H37Cl2N3O4/c1-3-22-16-25-5-4-24(23-6-8-36(9-7-23)29(37)19-35-10-12-39-13-11-35)17-28(25)30(22)34(2)31(38)40-20-21-14-26(32)18-27(33)15-21/h4-6,14-15,17-18,22,30H,3,7-13,16,19-20H2,1-2H3
InChIKeyQYXIUOPEYJHZPE-UHFFFAOYSA-N
MW586.56 g/mol
LogP5.83
Rot. Bonds7

About (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate

(3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate (PubChem CID 142601859) has the molecular formula C31H37Cl2N3O4 and a molecular weight of 586.56 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate.

Molecular Properties

Compound Name(3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
PubChem CID142601859
Molecular FormulaC31H37Cl2N3O4
Molecular Weight586.56 g/mol
Exact Mass585.22
IUPAC Name(3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate
SMILESCCC1Cc2ccc(C3=CCN(C(=O)CN4CCOCC4)CC3)cc2C1N(C)C(=O)OCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C31H37Cl2N3O4/c1-3-22-16-25-5-4-24(23-6-8-36(9-7-23)29(37)19-35-10-12-39-13-11-35)17-28(25)30(22)34(2)31(38)40-20-21-14-26(32)18-27(33)15-21/h4-6,14-15,17-18,22,30H,3,7-13,16,19-20H2,1-2H3
InChIKeyQYXIUOPEYJHZPE-UHFFFAOYSA-N
XLogP5.83
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.56
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
The IUPAC name of (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate (CID 142601859) is (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate.
What is the SMILES notation for (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
The canonical SMILES for (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate is CCC1Cc2ccc(C3=CCN(C(=O)CN4CCOCC4)CC3)cc2C1N(C)C(=O)OCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
The InChIKey is QYXIUOPEYJHZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37Cl2N3O4/c1-3-22-16-25-5-4-24(23-6-8-36(9-7-23)29(37)19-35-10-12-39-13-11-35)17-28(25)30(22)34(2)31(38)40-20-21-14-26(32)18-27(33)15-21/h4-6,14-15,17-18,22,30H,3,7-13,16,19-20H2,1-2H3.
What are the key properties of (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate?
(3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate has a molecular weight of 586.56 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)methyl N-[2-ethyl-6-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]-N-methylcarbamate is sourced from PubChem (CID 142601859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).