(2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C24H26N2O5 — CID 40634149

IUPAC(2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C24H26N2O5/c1-15-20(11-10-18-17-7-3-4-8-19(17)24(29)31-22(15)18)30-16(2)23(28)25-12-6-14-26-13-5-9-21(26)27/h3-4,7-8,10-11,16H,5-6,9,12-14H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyAIEQUPUSBZVQEW-INIZCTEOSA-N
MW422.48 g/mol
LogP3.15
Rot. Bonds7

About (2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

(2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 40634149) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID40634149
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name(2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C24H26N2O5/c1-15-20(11-10-18-17-7-3-4-8-19(17)24(29)31-22(15)18)30-16(2)23(28)25-12-6-14-26-13-5-9-21(26)27/h3-4,7-8,10-11,16H,5-6,9,12-14H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyAIEQUPUSBZVQEW-INIZCTEOSA-N
XLogP3.15
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', '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
2-(4-chloro-2-methylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 42992476
2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 43010252
(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-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482285
(2S)-2-[[(2R)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoyl]amino]propanoic acid
CID 11963701
2-[2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoylamino]propanoic acid
CID 3849548
2-[[(2R)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 7086909
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246
N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
CID 171911013
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082
6-[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]hexanoic acid
CID 3849242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of (2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 40634149) is (2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is Cc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c1oc(=O)c1ccccc12.
What is the InChIKey of (2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is AIEQUPUSBZVQEW-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-15-20(11-10-18-17-7-3-4-8-19(17)24(29)31-22(15)18)30-16(2)23(28)25-12-6-14-26-13-5-9-21(26)27/h3-4,7-8,10-11,16H,5-6,9,12-14H2,1-2H3,(H,25,28)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
(2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 422.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 40634149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).