N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide

C18H25N3O2 — CID 122184170

IUPACN-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide
SMILESCCC/C=C1\C(=O)Nc2cc(NC(C)=O)c(N(CC)CC)cc21
InChIInChI=1S/C18H25N3O2/c1-5-8-9-13-14-10-17(21(6-2)7-3)16(19-12(4)22)11-15(14)20-18(13)23/h9-11H,5-8H2,1-4H3,(H,19,22)(H,20,23)/b13-9-
InChIKeyDYTNGUKKYBTXLJ-LCYFTJDESA-N
MW315.42 g/mol
LogP3.63
Rot. Bonds6

About N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide

N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide (PubChem CID 122184170) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide
PubChem CID122184170
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide
SMILESCCC/C=C1\C(=O)Nc2cc(NC(C)=O)c(N(CC)CC)cc21
InChIInChI=1S/C18H25N3O2/c1-5-8-9-13-14-10-17(21(6-2)7-3)16(19-12(4)22)11-15(14)20-18(13)23/h9-11H,5-8H2,1-4H3,(H,19,22)(H,20,23)/b13-9-
InChIKeyDYTNGUKKYBTXLJ-LCYFTJDESA-N
XLogP3.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
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 N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide?
The IUPAC name of N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide (CID 122184170) is N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide.
What is the SMILES notation for N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide?
The canonical SMILES for N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide is CCC/C=C1\C(=O)Nc2cc(NC(C)=O)c(N(CC)CC)cc21.
What is the InChIKey of N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide?
The InChIKey is DYTNGUKKYBTXLJ-LCYFTJDESA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-8-9-13-14-10-17(21(6-2)7-3)16(19-12(4)22)11-15(14)20-18(13)23/h9-11H,5-8H2,1-4H3,(H,19,22)(H,20,23)/b13-9-.
What are the key properties of N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide?
N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-butylidene-5-(diethylamino)-2-oxo-1H-indol-6-yl]acetamide is sourced from PubChem (CID 122184170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).