2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide

C23H27N3O4 — CID 57109839

IUPAC2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide
SMILESCN(C)CCCONC1=C2CC2(c2ccccc2)Oc2cc(OCC(N)=O)ccc21
InChIInChI=1S/C23H27N3O4/c1-26(2)11-6-12-29-25-22-18-10-9-17(28-15-21(24)27)13-20(18)30-23(14-19(22)23)16-7-4-3-5-8-16/h3-5,7-10,13,25H,6,11-12,14-15H2,1-2H3,(H2,24,27)
InChIKeyHCJDGQWNLYXEKM-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.43
Rot. Bonds10

About 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide

2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide (PubChem CID 57109839) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide
PubChem CID57109839
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide
SMILESCN(C)CCCONC1=C2CC2(c2ccccc2)Oc2cc(OCC(N)=O)ccc21
InChIInChI=1S/C23H27N3O4/c1-26(2)11-6-12-29-25-22-18-10-9-17(28-15-21(24)27)13-20(18)30-23(14-19(22)23)16-7-4-3-5-8-16/h3-5,7-10,13,25H,6,11-12,14-15H2,1-2H3,(H2,24,27)
InChIKeyHCJDGQWNLYXEKM-UHFFFAOYSA-N
XLogP2.43
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide 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

4-methoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57003860
5-chloro-N-[3-(dimethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57197920
4,5-dimethoxy-N-[3-(methylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57080666
N-[3-(dimethylamino)propoxy]-1a-(2-methoxyphenyl)-1H-cyclopropa[b]chromen-7-amine
CID 56980456
4-bromo-N-[3-(ethylamino)propoxy]-1a-phenyl-1H-cyclopropa[b]chromen-7-amine
CID 57225758
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
2-(3-ethoxy-4-ethylphenoxy)acetamide
CID 141024835
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
CID 153300961
(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
CID 150532948

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide?
The IUPAC name of 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide (CID 57109839) is 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide.
What is the SMILES notation for 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide?
The canonical SMILES for 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide is CN(C)CCCONC1=C2CC2(c2ccccc2)Oc2cc(OCC(N)=O)ccc21.
What is the InChIKey of 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide?
The InChIKey is HCJDGQWNLYXEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-26(2)11-6-12-29-25-22-18-10-9-17(28-15-21(24)27)13-20(18)30-23(14-19(22)23)16-7-4-3-5-8-16/h3-5,7-10,13,25H,6,11-12,14-15H2,1-2H3,(H2,24,27).
What are the key properties of 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide?
2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.43, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[3-(dimethylamino)propoxyamino]-1a-phenyl-1H-cyclopropa[b]chromen-4-yl]oxy]acetamide is sourced from PubChem (CID 57109839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).