2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide

C18H30N4O2 — CID 110037625

IUPAC2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccccc1CN(C)/C(=N/CC(=O)N(C)C)NCC(C)C
InChIInChI=1S/C18H30N4O2/c1-14(2)11-19-18(20-12-17(23)21(3)4)22(5)13-15-9-7-8-10-16(15)24-6/h7-10,14H,11-13H2,1-6H3,(H,19,20)
InChIKeyUORGIYFFZVWZAC-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.82
Rot. Bonds7

About 2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110037625) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110037625
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccccc1CN(C)/C(=N/CC(=O)N(C)C)NCC(C)C
InChIInChI=1S/C18H30N4O2/c1-14(2)11-19-18(20-12-17(23)21(3)4)22(5)13-15-9-7-8-10-16(15)24-6/h7-10,14H,11-13H2,1-6H3,(H,19,20)
InChIKeyUORGIYFFZVWZAC-UHFFFAOYSA-N
XLogP1.82
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111282751
2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111282364
2-[[[(2-bromophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111276358
N-cyclopropyl-2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]acetamide;hydroiodide
CID 111282550
3-ethyl-1-[(2-methoxyphenyl)methyl]-1-methyl-2-propylguanidine;hydroiodide
CID 111282326
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111281134
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
3-ethyl-1-[(2-methoxyphenyl)methyl]-1-methyl-2-(2-methylsulfanylethyl)guanidine
CID 111282721
2-[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111281709
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
N-ethyl-4-[[[ethylamino-[(2-methoxyphenyl)methyl-methylamino]methylidene]amino]methyl]benzamide
CID 111282431
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 55121106

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110037625) is 2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide is COc1ccccc1CN(C)/C(=N/CC(=O)N(C)C)NCC(C)C.
What is the InChIKey of 2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is UORGIYFFZVWZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)11-19-18(20-12-17(23)21(3)4)22(5)13-15-9-7-8-10-16(15)24-6/h7-10,14H,11-13H2,1-6H3,(H,19,20).
What are the key properties of 2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 334.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2-methoxyphenyl)methyl-methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110037625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).