2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide

C18H30N4O3 — CID 110044823

IUPAC2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCOc1cc(N/C(=N/CC(=O)N(C)C)NCC(C)C)ccc1OC
InChIInChI=1S/C18H30N4O3/c1-7-25-16-10-14(8-9-15(16)24-6)21-18(19-11-13(2)3)20-12-17(23)22(4)5/h8-10,13H,7,11-12H2,1-6H3,(H2,19,20,21)
InChIKeyLTZOGZATLDNXQY-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.20
Rot. Bonds8

About 2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110044823) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110044823
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCOc1cc(N/C(=N/CC(=O)N(C)C)NCC(C)C)ccc1OC
InChIInChI=1S/C18H30N4O3/c1-7-25-16-10-14(8-9-15(16)24-6)21-18(19-11-13(2)3)20-12-17(23)22(4)5/h8-10,13H,7,11-12H2,1-6H3,(H2,19,20,21)
InChIKeyLTZOGZATLDNXQY-UHFFFAOYSA-N
XLogP2.20
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[(3-ethoxy-4-methoxyanilino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044842
2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
CID 110044769
2-[[[1-(3,4-diethoxyphenyl)ethylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037744
2-[[N'-benzyl-N-(3-ethoxy-4-methoxyphenyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110044813
2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
CID 110044765
2-[[(3,4-dimethoxyanilino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110044777
2-[[[3-(3-ethoxy-4-methoxyphenyl)propylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111574735
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
1-(3,4-diethoxyphenyl)-3-(2-methylpropyl)thiourea
CID 115570835
2-[[N'-benzyl-N-(3,4-dimethoxyphenyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110044761
2-[[(butan-2-ylamino)-[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034624
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110044823) is 2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide is CCOc1cc(N/C(=N/CC(=O)N(C)C)NCC(C)C)ccc1OC.
What is the InChIKey of 2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is LTZOGZATLDNXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-7-25-16-10-14(8-9-15(16)24-6)21-18(19-11-13(2)3)20-12-17(23)22(4)5/h8-10,13H,7,11-12H2,1-6H3,(H2,19,20,21).
What are the key properties of 2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 350.46 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110044823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).