9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one

C24H25NO5 — CID 23620493

IUPAC9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one
SMILESCC(C)N(Cc1ccccc1)CC(O)COc1c2occc2cc2c(=O)ccoc12
InChIInChI=1S/C24H25NO5/c1-16(2)25(13-17-6-4-3-5-7-17)14-19(26)15-30-24-22-18(8-10-28-22)12-20-21(27)9-11-29-23(20)24/h3-12,16,19,26H,13-15H2,1-2H3
InChIKeyFSGBADCNWOBVFA-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.19
Rot. Bonds8

About 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one

9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one (PubChem CID 23620493) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one.

Molecular Properties

Compound Name9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one
PubChem CID23620493
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one
SMILESCC(C)N(Cc1ccccc1)CC(O)COc1c2occc2cc2c(=O)ccoc12
InChIInChI=1S/C24H25NO5/c1-16(2)25(13-17-6-4-3-5-7-17)14-19(26)15-30-24-22-18(8-10-28-22)12-20-21(27)9-11-29-23(20)24/h3-12,16,19,26H,13-15H2,1-2H3
InChIKeyFSGBADCNWOBVFA-UHFFFAOYSA-N
XLogP4.19
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one 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

(2S)-1-[benzyl(propan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125487705
4-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]fluoren-9-one
CID 154099548
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
(2S)-1-[benzyl(propan-2-yl)amino]-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol
CID 7038425
1-[benzyl(propan-2-yl)amino]-3-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenoxy]propan-2-ol
CID 4303952
1-[benzyl(propan-2-yl)amino]-3-[[2-(2-ethenylperoxyethyl)-1-benzofuran-7-yl]oxy]propan-2-ol
CID 88826866
(2R)-1-[(4-fluorophenyl)methyl-propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93164105
(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 7832325
(2S)-1-(4-chlorophenoxy)-3-[(3-methoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 93162109
3-[benzyl(propan-2-yl)amino]-2-methylpropanethioamide
CID 43367666
1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713906
1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107927

Frequently Asked Questions

What is the IUPAC name of 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one?
The IUPAC name of 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one (CID 23620493) is 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one.
What is the SMILES notation for 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one?
The canonical SMILES for 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one is CC(C)N(Cc1ccccc1)CC(O)COc1c2occc2cc2c(=O)ccoc12.
What is the InChIKey of 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one?
The InChIKey is FSGBADCNWOBVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-16(2)25(13-17-6-4-3-5-7-17)14-19(26)15-30-24-22-18(8-10-28-22)12-20-21(27)9-11-29-23(20)24/h3-12,16,19,26H,13-15H2,1-2H3.
What are the key properties of 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one?
9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one has a molecular weight of 407.47 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropoxy]furo[3,2-g]chromen-5-one is sourced from PubChem (CID 23620493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).