(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane

C35H62N2O3 — CID 144747760

About (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane

(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane (PubChem CID 144747760) has the molecular formula C35H62N2O3 and a molecular weight of 558.89 g/mol. Its IUPAC name is (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane.

Molecular Properties

• Compound Name: (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane
• PubChem CID: 144747760
• Molecular Formula: C35H62N2O3
• Molecular Weight: 558.89 g/mol
• Exact Mass: 558.48
• IUPAC Name: (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane
• SMILES: C.C=C(CCCC(CCC)CN(C)/C=c1/c(C)c(C(=O)NCC(C)OCC2CC2)ccc1=C)OC(C)(C)C.CC
• InChI: InChI=1S/C32H52N2O3.C2H6.CH4/c1-10-12-27(14-11-13-24(3)37-32(6,7)8)20-34(9)21-30-23(2)15-18-29(26(30)5)31(35)33-19-25(4)36-22-28-16-17-28;1-2;/h15,18,21,25,27-28H,2-3,10-14,16-17,19-20,22H2,1,4-9H3,(H,33,35);1-2H3;1H4/b30-21+
• InChIKey: LCIIIDAYPMKEFL-SWHCDAPTSA-N
• XLogP: 7.20
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.89
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane?

The IUPAC name of (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane (CID 144747760) is (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane.

What is the SMILES notation for (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane?

The canonical SMILES for (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane is C.C=C(CCCC(CCC)CN(C)/C=c1/c(C)c(C(=O)NCC(C)OCC2CC2)ccc1=C)OC(C)(C)C.CC.

What is the InChIKey of (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane?

The InChIKey is LCIIIDAYPMKEFL-SWHCDAPTSA-N. The full InChI is InChI=1S/C32H52N2O3.C2H6.CH4/c1-10-12-27(14-11-13-24(3)37-32(6,7)8)20-34(9)21-30-23(2)15-18-29(26(30)5)31(35)33-19-25(4)36-22-28-16-17-28;1-2;/h15,18,21,25,27-28H,2-3,10-14,16-17,19-20,22H2,1,4-9H3,(H,33,35);1-2H3;1H4/b30-21+;;.

What are the key properties of (3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane?

(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane has a molecular weight of 558.89 g/mol, XLogP of 7.20, 16 rotatable bonds, 1 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-[6-[(2-methylpropan-2-yl)oxy]-2-propylhept-6-enyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide;ethane;methane is sourced from PubChem (CID 144747760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).