N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide

C19H21NO5 — CID 157334787

IUPACN-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
SMILESCCC(O)CNC(=O)CCc1cc2cc3c(C)coc3cc2oc1=O
InChIInChI=1S/C19H21NO5/c1-3-14(21)9-20-18(22)5-4-12-6-13-7-15-11(2)10-24-17(15)8-16(13)25-19(12)23/h6-8,10,14,21H,3-5,9H2,1-2H3,(H,20,22)
InChIKeyZVMQCSXMUWESOQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.67
Rot. Bonds6

About N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide

N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide (PubChem CID 157334787) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
PubChem CID157334787
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
SMILESCCC(O)CNC(=O)CCc1cc2cc3c(C)coc3cc2oc1=O
InChIInChI=1S/C19H21NO5/c1-3-14(21)9-20-18(22)5-4-12-6-13-7-15-11(2)10-24-17(15)8-16(13)25-19(12)23/h6-8,10,14,21H,3-5,9H2,1-2H3,(H,20,22)
InChIKeyZVMQCSXMUWESOQ-UHFFFAOYSA-N
XLogP2.67
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2,3-dihydroxypropyl]-2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 40854906
N-[(2R)-butan-2-yl]-3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
CID 907318
3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(3-hydroxypropyl)propanamide
CID 4967067
N-butan-2-yl-3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
CID 3603489
2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
CID 3761128
3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(2-morpholin-4-ium-4-ylethyl)propanamide
CID 7094585
3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3848129
5-(carbamoylamino)-2-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
CID 3823244
3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4837736
3-(2,4-dimethylphenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)propanamide
CID 110882806
3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one
CID 29147891
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylbutanoic acid
CID 3751099

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
The IUPAC name of N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide (CID 157334787) is N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide.
What is the SMILES notation for N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
The canonical SMILES for N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide is CCC(O)CNC(=O)CCc1cc2cc3c(C)coc3cc2oc1=O.
What is the InChIKey of N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
The InChIKey is ZVMQCSXMUWESOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-14(21)9-20-18(22)5-4-12-6-13-7-15-11(2)10-24-17(15)8-16(13)25-19(12)23/h6-8,10,14,21H,3-5,9H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide has a molecular weight of 343.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-3-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide is sourced from PubChem (CID 157334787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).