3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide

C23H23Cl3N4O3 — CID 90916141

IUPAC3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1=CC2(CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)ON1
InChIInChI=1S/C23H23Cl3N4O3/c24-17-4-1-15(2-5-17)13-27-21(31)20-12-23(33-29-20)7-9-30(10-8-23)22(32)28-14-16-3-6-18(25)19(26)11-16/h1-6,11-12,29H,7-10,13-14H2,(H,27,31)(H,28,32)
InChIKeyLNDMNLPNUNBXMT-UHFFFAOYSA-N
MW509.82 g/mol
LogP4.43
Rot. Bonds5

About 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide

3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide (PubChem CID 90916141) has the molecular formula C23H23Cl3N4O3 and a molecular weight of 509.82 g/mol. Its IUPAC name is 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide
PubChem CID90916141
Molecular FormulaC23H23Cl3N4O3
Molecular Weight509.82 g/mol
Exact Mass508.08
IUPAC Name3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1=CC2(CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)ON1
InChIInChI=1S/C23H23Cl3N4O3/c24-17-4-1-15(2-5-17)13-27-21(31)20-12-23(33-29-20)7-9-30(10-8-23)22(32)28-14-16-3-6-18(25)19(26)11-16/h1-6,11-12,29H,7-10,13-14H2,(H,27,31)(H,28,32)
InChIKeyLNDMNLPNUNBXMT-UHFFFAOYSA-N
XLogP4.43
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.82
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide with MolForge

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Related Compounds

2-(3-benzylamino-2-oxo-1,2-dihydropyridin-1-yl)-N-(3,4-dichlorobenzyl)acetamide
CID 44241632
2-[3-[(3-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 127028744
2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 127028745
N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide
CID 127028748
2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide
CID 127028737
2-[3-(benzylamino)-2-oxo-1-pyridinyl]-N-[2-(3,4-dichlorophenyl)ethyl]acetamide
CID 127028740
N-[(3,4-dichlorophenyl)methyl]-2-[2-oxo-3-(3-phenylpropylamino)-1-pyridinyl]acetamide
CID 127028742
N-benzyl-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide
CID 127029041
1-Benzyl-3-[(3,4-dichlorophenyl)methylamino]pyridin-2-one
CID 137639082
8-N-[(3,4-dichlorophenyl)methyl]-3-N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide
CID 90834580
N-[1-(3,4-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]-4-methyltetrahydro-1(2H)-pyrazinecarboxamide
CID 1478529
6-Amino-1-benzyl-5-[(3,4-dichlorophenyl)methyl-ethylamino]pyrimidine-2,4-dione
CID 17528005

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide?
The IUPAC name of 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide (CID 90916141) is 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide.
What is the SMILES notation for 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide?
The canonical SMILES for 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide is O=C(NCc1ccc(Cl)cc1)C1=CC2(CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)ON1.
What is the InChIKey of 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide?
The InChIKey is LNDMNLPNUNBXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N4O3/c24-17-4-1-15(2-5-17)13-27-21(31)20-12-23(33-29-20)7-9-30(10-8-23)22(32)28-14-16-3-6-18(25)19(26)11-16/h1-6,11-12,29H,7-10,13-14H2,(H,27,31)(H,28,32).
What are the key properties of 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide?
3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide has a molecular weight of 509.82 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-chlorophenyl)methyl]-8-N-[(3,4-dichlorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3,8-dicarboxamide is sourced from PubChem (CID 90916141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).