N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

C22H23N3O4 — CID 4966920

IUPACN-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
SMILESCc1oc2cc3oc(=O)c(CC(=O)NCCCn4ccnc4)c(C)c3cc2c1C
InChIInChI=1S/C22H23N3O4/c1-13-15(3)28-19-11-20-17(9-16(13)19)14(2)18(22(27)29-20)10-21(26)24-5-4-7-25-8-6-23-12-25/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,24,26)
InChIKeyODUGGOJNUROOLO-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.41
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (PubChem CID 4966920) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
PubChem CID4966920
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
SMILESCc1oc2cc3oc(=O)c(CC(=O)NCCCn4ccnc4)c(C)c3cc2c1C
InChIInChI=1S/C22H23N3O4/c1-13-15(3)28-19-11-20-17(9-16(13)19)14(2)18(22(27)29-20)10-21(26)24-5-4-7-25-8-6-23-12-25/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,24,26)
InChIKeyODUGGOJNUROOLO-UHFFFAOYSA-N
XLogP3.41
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.41
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'}

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Related Compounds

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
3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 6217397
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 136905749
N-(oxolan-2-ylmethyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 4839490
2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4839811
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
N-(3-imidazol-1-ylpropyl)-2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 4973651
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
(2S)-N-(3-imidazol-1-ylpropyl)-2-(6-oxobenzo[c]chromen-3-yl)oxypropanamide
CID 40512539
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(3-hydroxypropyl)acetamide
CID 4870282

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide (CID 4966920) is N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is Cc1oc2cc3oc(=O)c(CC(=O)NCCCn4ccnc4)c(C)c3cc2c1C.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
The InChIKey is ODUGGOJNUROOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-15(3)28-19-11-20-17(9-16(13)19)14(2)18(22(27)29-20)10-21(26)24-5-4-7-25-8-6-23-12-25/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,24,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide?
N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 3.41, 6 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-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide is sourced from PubChem (CID 4966920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).