2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide

C21H32N4O3 — CID 110036895

About 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110036895) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
• PubChem CID: 110036895
• Molecular Formula: C21H32N4O3
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.25
• IUPAC Name: 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide
• SMILES: COCCC1(CN/C(=N\CC(=O)N(C)C)NC2CCOc3ccccc32)CC1
• InChI: InChI=1S/C21H32N4O3/c1-25(2)19(26)14-22-20(23-15-21(9-10-21)11-13-27-3)24-17-8-12-28-18-7-5-4-6-16(17)18/h4-7,17H,8-15H2,1-3H3,(H2,22,23,24)
• InChIKey: PZCHHHJWGRHBGK-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 75.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide?

The IUPAC name of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide (CID 110036895) is 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide?

The canonical SMILES for 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide is COCCC1(CN/C(=N\CC(=O)N(C)C)NC2CCOc3ccccc32)CC1.

What is the InChIKey of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide?

The InChIKey is PZCHHHJWGRHBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-25(2)19(26)14-22-20(23-15-21(9-10-21)11-13-27-3)24-17-8-12-28-18-7-5-4-6-16(17)18/h4-7,17H,8-15H2,1-3H3,(H2,22,23,24).

What are the key properties of 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide?

2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 388.51 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3,4-dihydro-2H-chromen-4-ylamino)-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110036895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).