ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine

C29H43N3O2 — CID 153389605

IUPACethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine
SMILESC=C.C=O.CC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN.Cc1ccc(CN2CCC2)cc1
InChIInChI=1S/C14H17NO.C11H15N.C2H4.CH5N.CH2O/c1-9(16)15-14-12-6-2-4-10(12)8-11-5-3-7-13(11)14;1-10-3-5-11(6-4-10)9-12-7-2-8-12;3*1-2/h8H,2-7H2,1H3,(H,15,16);3-6H,2,7-9H2,1H3;1-2H2;2H2,1H3;1H2
InChIKeyYLZFJEWXTZOLEJ-UHFFFAOYSA-N
MW465.68 g/mol
LogP5.02
Rot. Bonds3

About ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine

ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine (PubChem CID 153389605) has the molecular formula C29H43N3O2 and a molecular weight of 465.68 g/mol. Its IUPAC name is ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Nameethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine
PubChem CID153389605
Molecular FormulaC29H43N3O2
Molecular Weight465.68 g/mol
Exact Mass465.34
IUPAC Nameethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine
SMILESC=C.C=O.CC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN.Cc1ccc(CN2CCC2)cc1
InChIInChI=1S/C14H17NO.C11H15N.C2H4.CH5N.CH2O/c1-9(16)15-14-12-6-2-4-10(12)8-11-5-3-7-13(11)14;1-10-3-5-11(6-4-10)9-12-7-2-8-12;3*1-2/h8H,2-7H2,1H3,(H,15,16);3-6H,2,7-9H2,1H3;1-2H2;2H2,1H3;1H2
InChIKeyYLZFJEWXTZOLEJ-UHFFFAOYSA-N
XLogP5.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-[(4-methylphenyl)methyl]azepane
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4-[[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]-N-(4-methylphenyl)benzamide
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CID 19297267
ethane;1-[(4-methylphenyl)methyl]piperidine
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CID 166858230
1-[amino-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-λ4-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142522766
ethyl 4-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)pyrazol-1-yl]methyl]benzoate
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1-[2-(1-benzylpiperidin-4-yl)ethylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine?
The IUPAC name of ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine (CID 153389605) is ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine.
What is the SMILES notation for ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine?
The canonical SMILES for ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine is C=C.C=O.CC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN.Cc1ccc(CN2CCC2)cc1.
What is the InChIKey of ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine?
The InChIKey is YLZFJEWXTZOLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C11H15N.C2H4.CH5N.CH2O/c1-9(16)15-14-12-6-2-4-10(12)8-11-5-3-7-13(11)14;1-10-3-5-11(6-4-10)9-12-7-2-8-12;3*1-2/h8H,2-7H2,1H3,(H,15,16);3-6H,2,7-9H2,1H3;1-2H2;2H2,1H3;1H2.
What are the key properties of ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine?
ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine has a molecular weight of 465.68 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;formaldehyde;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide;methanamine;1-[(4-methylphenyl)methyl]azetidine is sourced from PubChem (CID 153389605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).