3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide

C19H21N3O4 — CID 6217397

IUPAC3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCc1c(CCC(=O)NCCCn2ccnc2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C19H21N3O4/c1-13-15-4-3-14(23)11-17(15)26-19(25)16(13)5-6-18(24)21-7-2-9-22-10-8-20-12-22/h3-4,8,10-12,23H,2,5-7,9H2,1H3,(H,21,24)
InChIKeyGHGQOHQODACJED-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.14
Rot. Bonds7

About 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide

3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 6217397) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID6217397
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCc1c(CCC(=O)NCCCn2ccnc2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C19H21N3O4/c1-13-15-4-3-14(23)11-17(15)26-19(25)16(13)5-6-18(24)21-7-2-9-22-10-8-20-12-22/h3-4,8,10-12,23H,2,5-7,9H2,1H3,(H,21,24)
InChIKeyGHGQOHQODACJED-UHFFFAOYSA-N
XLogP2.14
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 4966920
2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetic acid
CID 5417130
N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetamide
CID 4869657
(2S)-5-(carbamoylamino)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]pentanoic acid
CID 6851429
N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 4973651
5-(7-hydroxy-4-methyl-2-oxochromen-3-yl)pentanoic acid
CID 174692829
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
(2S)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-2-phenylacetic acid
CID 6568880
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876
(2S)-N-(3-imidazol-1-ylpropyl)-2-(6-oxobenzo[c]chromen-3-yl)oxypropanamide
CID 40512539
N-(3-hydroxypropyl)-3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
CID 4966618

Frequently Asked Questions

What is the IUPAC name of 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide (CID 6217397) is 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide is Cc1c(CCC(=O)NCCCn2ccnc2)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is GHGQOHQODACJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-15-4-3-14(23)11-17(15)26-19(25)16(13)5-6-18(24)21-7-2-9-22-10-8-20-12-22/h3-4,8,10-12,23H,2,5-7,9H2,1H3,(H,21,24).
What are the key properties of 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide?
3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 355.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 6217397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).