(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide

C19H29N3O2 — CID 134188799

IUPAC(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOC)c(C)/c1=C/N(C)CC1CCNC1
InChIInChI=1S/C19H29N3O2/c1-14-5-6-17(19(23)21-9-10-24-4)15(2)18(14)13-22(3)12-16-7-8-20-11-16/h5-6,13,16,20H,1,7-12H2,2-4H3,(H,21,23)/b18-13+
InChIKeySGNVNTIFOOPKCV-QGOAFFKASA-N
MW331.46 g/mol
LogP0.06
Rot. Bonds7

About (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide

(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 134188799) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
PubChem CID134188799
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
SMILESC=c1ccc(C(=O)NCCOC)c(C)/c1=C/N(C)CC1CCNC1
InChIInChI=1S/C19H29N3O2/c1-14-5-6-17(19(23)21-9-10-24-4)15(2)18(14)13-22(3)12-16-7-8-20-11-16/h5-6,13,16,20H,1,7-12H2,2-4H3,(H,21,23)/b18-13+
InChIKeySGNVNTIFOOPKCV-QGOAFFKASA-N
XLogP0.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747277
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747390
2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-8-methyl-3H-isoquinoline-7-carboxamide
CID 123284524
N-(2-methoxyethyl)-3,9-dimethyl-2-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123357258
N-(2-methoxyethyl)-8-methyl-2-(pyrrolidin-3-ylmethyl)isoquinoline-7-carboxamide
CID 123654583
(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188665
(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188824
(3E)-3-[(cyclobutylmethylamino)methylidene]-N-(2-methoxyethyl)-2-methylcyclohexa-1,5-diene-1-carboxamide
CID 134188851
(3Z)-3-[[cyclobutylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188878
(3E)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-2-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188969
2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide
CID 143442159
(3Z)-3-[[2-ethylpentyl(methyl)amino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 144747317

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide (CID 134188799) is (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide is C=c1ccc(C(=O)NCCOC)c(C)/c1=C/N(C)CC1CCNC1.
What is the InChIKey of (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is SGNVNTIFOOPKCV-QGOAFFKASA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-5-6-17(19(23)21-9-10-24-4)15(2)18(14)13-22(3)12-16-7-8-20-11-16/h5-6,13,16,20H,1,7-12H2,2-4H3,(H,21,23)/b18-13+.
What are the key properties of (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide?
(3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(2-methoxyethyl)-2-methyl-4-methylidene-3-[[methyl(pyrrolidin-3-ylmethyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 134188799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).