2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide

C22H32N4O3 — CID 111907559

IUPAC2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCC(CN/C(=N/CC(=O)N(C)C)NCCc1ccco1)COCc1ccccc1
InChIInChI=1S/C22H32N4O3/c1-18(16-28-17-19-8-5-4-6-9-19)14-24-22(25-15-21(27)26(2)3)23-12-11-20-10-7-13-29-20/h4-10,13,18H,11-12,14-17H2,1-3H3,(H2,23,24,25)
InChIKeyWARPGMUPMCZTAD-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.30
Rot. Bonds11

About 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111907559) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111907559
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCC(CN/C(=N/CC(=O)N(C)C)NCCc1ccco1)COCc1ccccc1
InChIInChI=1S/C22H32N4O3/c1-18(16-28-17-19-8-5-4-6-9-19)14-24-22(25-15-21(27)26(2)3)23-12-11-20-10-7-13-29-20/h4-10,13,18H,11-12,14-17H2,1-3H3,(H2,23,24,25)
InChIKeyWARPGMUPMCZTAD-UHFFFAOYSA-N
XLogP2.30
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.30
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'}

Analyze 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(furan-2-yl)ethyl]-2-methyl-3-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111355494
N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 111777508
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751507
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751506
2-[[[2-(4-methoxyphenyl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111670931
2-[[[2-(furan-2-yl)ethylamino]-(3-phenylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111903603
2-[[[2-(furan-2-yl)ethylamino]-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110050908
2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491226
N,N-dimethyl-2-[[[(2-methyl-3-phenylmethoxypropyl)amino]-(1-phenylethylamino)methylidene]amino]acetamide
CID 111545769
2-[[(butan-2-ylamino)-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111545171
2-[[[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110052690
2-[[[2-(furan-2-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545758

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 111907559) is 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide is CC(CN/C(=N/CC(=O)N(C)C)NCCc1ccco1)COCc1ccccc1.
What is the InChIKey of 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is WARPGMUPMCZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-18(16-28-17-19-8-5-4-6-9-19)14-24-22(25-15-21(27)26(2)3)23-12-11-20-10-7-13-29-20/h4-10,13,18H,11-12,14-17H2,1-3H3,(H2,23,24,25).
What are the key properties of 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 400.52 g/mol, XLogP of 2.30, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-3-phenylmethoxypropyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111907559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).