(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane

C26H43N3O2 — CID 144747344

IUPAC(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane
SMILESC=c1ccc(C(=O)NCC(C)OCC2CC2)c(C)/c1=C/N(C)CC1CCNCC1.CC
InChIInChI=1S/C24H37N3O2.C2H6/c1-17-5-8-22(24(28)26-13-18(2)29-16-21-6-7-21)19(3)23(17)15-27(4)14-20-9-11-25-12-10-20;1-2/h5,8,15,18,20-21,25H,1,6-7,9-14,16H2,2-4H3,(H,26,28);1-2H3/b23-15+;
InChIKeyWYHYPCXPONRMBQ-BUGNPGDCSA-N
MW429.65 g/mol
LogP2.65
Rot. Bonds9

About (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane

(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane (PubChem CID 144747344) has the molecular formula C26H43N3O2 and a molecular weight of 429.65 g/mol. Its IUPAC name is (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane.

Molecular Properties

Compound Name(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane
PubChem CID144747344
Molecular FormulaC26H43N3O2
Molecular Weight429.65 g/mol
Exact Mass429.34
IUPAC Name(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane
SMILESC=c1ccc(C(=O)NCC(C)OCC2CC2)c(C)/c1=C/N(C)CC1CCNCC1.CC
InChIInChI=1S/C24H37N3O2.C2H6/c1-17-5-8-22(24(28)26-13-18(2)29-16-21-6-7-21)19(3)23(17)15-27(4)14-20-9-11-25-12-10-20;1-2/h5,8,15,18,20-21,25H,1,6-7,9-14,16H2,2-4H3,(H,26,28);1-2H3/b23-15+;
InChIKeyWYHYPCXPONRMBQ-BUGNPGDCSA-N
XLogP2.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.65
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane?
The IUPAC name of (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane (CID 144747344) is (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane.
What is the SMILES notation for (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane?
The canonical SMILES for (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane is C=c1ccc(C(=O)NCC(C)OCC2CC2)c(C)/c1=C/N(C)CC1CCNCC1.CC.
What is the InChIKey of (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane?
The InChIKey is WYHYPCXPONRMBQ-BUGNPGDCSA-N. The full InChI is InChI=1S/C24H37N3O2.C2H6/c1-17-5-8-22(24(28)26-13-18(2)29-16-21-6-7-21)19(3)23(17)15-27(4)14-20-9-11-25-12-10-20;1-2/h5,8,15,18,20-21,25H,1,6-7,9-14,16H2,2-4H3,(H,26,28);1-2H3/b23-15+;.
What are the key properties of (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane?
(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane has a molecular weight of 429.65 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane is sourced from PubChem (CID 144747344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).