N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide

C24H25NO5 — CID 171911013

IUPACN-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
SMILESCc1c(OC(C)C(=O)Nc2ccccc2CCO)ccc2c3c(c(=O)oc12)CCC3
InChIInChI=1S/C24H25NO5/c1-14-21(11-10-18-17-7-5-8-19(17)24(28)30-22(14)18)29-15(2)23(27)25-20-9-4-3-6-16(20)12-13-26/h3-4,6,9-11,15,26H,5,7-8,12-13H2,1-2H3,(H,25,27)
InChIKeyZIROWZWNCUMSCL-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide

N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide (PubChem CID 171911013) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
PubChem CID171911013
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC NameN-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
SMILESCc1c(OC(C)C(=O)Nc2ccccc2CCO)ccc2c3c(c(=O)oc12)CCC3
InChIInChI=1S/C24H25NO5/c1-14-21(11-10-18-17-7-5-8-19(17)24(28)30-22(14)18)29-15(2)23(27)25-20-9-4-3-6-16(20)12-13-26/h3-4,6,9-11,15,26H,5,7-8,12-13H2,1-2H3,(H,25,27)
InChIKeyZIROWZWNCUMSCL-UHFFFAOYSA-N
XLogP3.53
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.53
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-(3-hydroxypropyl)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 4904032
(2S)-2-[[(2R)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoyl]amino]propanoic acid
CID 11963701
N-cyclobutyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
CID 171385732
2-[2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoylamino]propanoic acid
CID 3849548
2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 171911455
2-methylpropyl (2S)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoate
CID 7085288
2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(oxan-4-yl)propanamide
CID 171386902
(2S)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
CID 7553919
(2S)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoate
CID 2055071
4-methyl-3-propan-2-yloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2274082
N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
CID 171915363
2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
CID 171912792

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide?
The IUPAC name of N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide (CID 171911013) is N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide is Cc1c(OC(C)C(=O)Nc2ccccc2CCO)ccc2c3c(c(=O)oc12)CCC3.
What is the InChIKey of N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide?
The InChIKey is ZIROWZWNCUMSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-14-21(11-10-18-17-7-5-8-19(17)24(28)30-22(14)18)29-15(2)23(27)25-20-9-4-3-6-16(20)12-13-26/h3-4,6,9-11,15,26H,5,7-8,12-13H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide?
N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide has a molecular weight of 407.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide is sourced from PubChem (CID 171911013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).