(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

C32H52N2O3 — CID 144747761

IUPAC(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
SMILESC=C(CCCC(CCC)CN(C)/C=c1/c(C)c(C(=O)NCC(C)OCC2CC2)ccc1=C)OC(C)(C)C
InChIInChI=1S/C32H52N2O3/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/h15,18,21,25,27-28H,2-3,10-14,16-17,19-20,22H2,1,4-9H3,(H,33,35)/b30-21+
InChIKeyRFSVJODBZAWFJI-MWAVMZGNSA-N
MW512.78 g/mol
LogP5.54
Rot. Bonds16

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

(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 (PubChem CID 144747761) has the molecular formula C32H52N2O3 and a molecular weight of 512.78 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.

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
PubChem CID144747761
Molecular FormulaC32H52N2O3
Molecular Weight512.78 g/mol
Exact Mass512.40
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
SMILESC=C(CCCC(CCC)CN(C)/C=c1/c(C)c(C(=O)NCC(C)OCC2CC2)ccc1=C)OC(C)(C)C
InChIInChI=1S/C32H52N2O3/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/h15,18,21,25,27-28H,2-3,10-14,16-17,19-20,22H2,1,4-9H3,(H,33,35)/b30-21+
InChIKeyRFSVJODBZAWFJI-MWAVMZGNSA-N
XLogP5.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.78
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-(difluoromethoxy)-3-[[(6-ethoxy-2-propylhept-6-enyl)-methylamino]methylidene]-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 144747309
(3E)-N-[2-(cyclopropylmethoxy)ethyl]-4-methylidene-3-[[methyl-(6-propan-2-yloxy-2-propylhept-6-enyl)amino]methylidene]-2-(2,2,2-trifluoroethoxy)cyclohexa-1,5-diene-1-carboxamide
CID 144747381
(3E)-N-(2-cyclobutyloxy-6-fluoroheptyl)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747578
2-(cycloheptylmethyl)-N-[2-(cyclopropylmethoxy)ethyl]-8-methyl-3H-isoquinoline-7-carboxamide
CID 123201210
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-(oxan-2-ylmethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747326
(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
(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
(3E)-N-[2-(cyclopropylmethoxy)propyl]-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747345
(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-4-methylidene-3-[[methyl(2-propylpentyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747473

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?
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 (CID 144747761) 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.
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?
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 is C=C(CCCC(CCC)CN(C)/C=c1/c(C)c(C(=O)NCC(C)OCC2CC2)ccc1=C)OC(C)(C)C.
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?
The InChIKey is RFSVJODBZAWFJI-MWAVMZGNSA-N. The full InChI is InChI=1S/C32H52N2O3/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/h15,18,21,25,27-28H,2-3,10-14,16-17,19-20,22H2,1,4-9H3,(H,33,35)/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?
(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 has a molecular weight of 512.78 g/mol, XLogP of 5.54, 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 is sourced from PubChem (CID 144747761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).