2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide

C18H20N4O2 — CID 177373738

IUPAC2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
InChIInChI=1S/C18H20N4O2/c1-3-11(4-2)17(23)21-12-5-6-16-14(7-12)15(18(24)22-16)8-13-9-19-10-20-13/h5-11H,3-4H2,1-2H3,(H,19,20)(H,21,23)(H,22,24)/b15-8-
InChIKeyXVSQZMQKFFESRI-NVNXTCNLSA-N
MW324.38 g/mol
LogP3.28
Rot. Bonds5

About 2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide

2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide (PubChem CID 177373738) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide
PubChem CID177373738
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
InChIInChI=1S/C18H20N4O2/c1-3-11(4-2)17(23)21-12-5-6-16-14(7-12)15(18(24)22-16)8-13-9-19-10-20-13/h5-11H,3-4H2,1-2H3,(H,19,20)(H,21,23)(H,22,24)/b15-8-
InChIKeyXVSQZMQKFFESRI-NVNXTCNLSA-N
XLogP3.28
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide?
The IUPAC name of 2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide (CID 177373738) is 2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide is CCC(CC)C(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2.
What is the InChIKey of 2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide?
The InChIKey is XVSQZMQKFFESRI-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-11(4-2)17(23)21-12-5-6-16-14(7-12)15(18(24)22-16)8-13-9-19-10-20-13/h5-11H,3-4H2,1-2H3,(H,19,20)(H,21,23)(H,22,24)/b15-8-.
What are the key properties of 2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide?
2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide has a molecular weight of 324.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]butanamide is sourced from PubChem (CID 177373738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).