(3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide

C19H29N3O2 — CID 144747753

IUPAC(3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=c1cc(C)c(C(=O)NCC(C)OC)c/c1=C/N(C)CC1CNC1
InChIInChI=1S/C19H29N3O2/c1-13-6-14(2)18(19(23)21-8-15(3)24-5)7-17(13)12-22(4)11-16-9-20-10-16/h6-7,12,15-16,20H,1,8-11H2,2-5H3,(H,21,23)/b17-12-
InChIKeyCTMOOJUKVTUXGM-ATVHPVEESA-N
MW331.46 g/mol
LogP0.06
Rot. Bonds7

About (3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide

(3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide (PubChem CID 144747753) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name(3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
PubChem CID144747753
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=c1cc(C)c(C(=O)NCC(C)OC)c/c1=C/N(C)CC1CNC1
InChIInChI=1S/C19H29N3O2/c1-13-6-14(2)18(19(23)21-8-15(3)24-5)7-17(13)12-22(4)11-16-9-20-10-16/h6-7,12,15-16,20H,1,8-11H2,2-5H3,(H,21,23)/b17-12-
InChIKeyCTMOOJUKVTUXGM-ATVHPVEESA-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

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Related Compounds

(3Z)-3-[[[1-[6-fluoro-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]azetidin-3-yl]methyl-methylamino]methylidene]-N-(2-methoxyethyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 134188722
azetidin-3-ylmethanamine;(3Z)-3-butylidene-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 144747372
(3Z)-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747832
2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-6-methyl-3H-isoquinoline-7-carboxamide
CID 123264977
2-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)-8-methyl-3H-isoquinoline-7-carboxamide
CID 123284524
2-(azetidin-3-ylmethyl)-N-(2-cyclopropyloxyethyl)-8-methylisoquinoline-7-carboxamide
CID 124021395
Tert-butyl 3-[[8-(2-methoxyethylcarbamoyl)-3,7-dimethyl-3,4-dihydro-2-benzazepin-2-yl]methyl]azetidine-1-carboxylate
CID 124033930
tert-butyl 3-[[[(E)-[3-(2-methoxypropylcarbamoyl)-2-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene]methyl]-methylamino]methyl]azetidine-1-carboxylate
CID 134188592
(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
tert-butyl 3-[[[(E)-[3-[2-(cyclopropylmethoxy)ethylcarbamoyl]-4-methylcyclohexa-2,4-dien-1-ylidene]methyl]amino]methyl]azetidine-1-carboxylate
CID 134189016
2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide
CID 143442159

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of (3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide (CID 144747753) is (3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for (3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for (3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide is C=c1cc(C)c(C(=O)NCC(C)OC)c/c1=C/N(C)CC1CNC1.
What is the InChIKey of (3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The InChIKey is CTMOOJUKVTUXGM-ATVHPVEESA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13-6-14(2)18(19(23)21-8-15(3)24-5)7-17(13)12-22(4)11-16-9-20-10-16/h6-7,12,15-16,20H,1,8-11H2,2-5H3,(H,21,23)/b17-12-.
What are the key properties of (3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
(3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-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 (3Z)-3-[[azetidin-3-ylmethyl(methyl)amino]methylidene]-N-(2-methoxypropyl)-6-methyl-4-methylidenecyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 144747753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).