N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide

C22H21N3O4 — CID 4973651

IUPACN-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCc1c(OCC(=O)NCCCn2ccnc2)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C22H21N3O4/c1-15-19(28-13-20(26)24-9-4-11-25-12-10-23-14-25)8-7-17-16-5-2-3-6-18(16)22(27)29-21(15)17/h2-3,5-8,10,12,14H,4,9,11,13H2,1H3,(H,24,26)
InChIKeyFDAPPTCJOIYPCS-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.04
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide

N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide (PubChem CID 4973651) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
PubChem CID4973651
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCc1c(OCC(=O)NCCCn2ccnc2)ccc2c1oc(=O)c1ccccc12
InChIInChI=1S/C22H21N3O4/c1-15-19(28-13-20(26)24-9-4-11-25-12-10-23-14-25)8-7-17-16-5-2-3-6-18(16)22(27)29-21(15)17/h2-3,5-8,10,12,14H,4,9,11,13H2,1H3,(H,24,26)
InChIKeyFDAPPTCJOIYPCS-UHFFFAOYSA-N
XLogP3.04
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(dimethylamino)propyl]-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 4911936
2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
N-(3-hydroxypropyl)-3-methyl-2-[[2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]acetyl]amino]butanamide
CID 73400872
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703
(2S)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
CID 6851445
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
CID 4905395
5-(carbamoylamino)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
CID 3441402
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911
(2S)-N-(3-imidazol-1-ylpropyl)-2-(6-oxobenzo[c]chromen-3-yl)oxypropanamide
CID 40512539
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4900576
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47101279

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide (CID 4973651) is N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide is Cc1c(OCC(=O)NCCCn2ccnc2)ccc2c1oc(=O)c1ccccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The InChIKey is FDAPPTCJOIYPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-19(28-13-20(26)24-9-4-11-25-12-10-23-14-25)8-7-17-16-5-2-3-6-18(16)22(27)29-21(15)17/h2-3,5-8,10,12,14H,4,9,11,13H2,1H3,(H,24,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide has a molecular weight of 391.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide is sourced from PubChem (CID 4973651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).