N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide

C16H18N2O3 — CID 167469919

IUPACN-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide
SMILESC=c1cccc2c1=C(C)C(=O)N2C(C)CCC(=O)NC=O
InChIInChI=1S/C16H18N2O3/c1-10-5-4-6-13-15(10)12(3)16(21)18(13)11(2)7-8-14(20)17-9-19/h4-6,9,11H,1,7-8H2,2-3H3,(H,17,19,20)
InChIKeyZFOZJMHSORTZIO-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.06
Rot. Bonds5

About N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide

N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide (PubChem CID 167469919) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide.

Molecular Properties

Compound NameN-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide
PubChem CID167469919
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide
SMILESC=c1cccc2c1=C(C)C(=O)N2C(C)CCC(=O)NC=O
InChIInChI=1S/C16H18N2O3/c1-10-5-4-6-13-15(10)12(3)16(21)18(13)11(2)7-8-14(20)17-9-19/h4-6,9,11H,1,7-8H2,2-3H3,(H,17,19,20)
InChIKeyZFOZJMHSORTZIO-UHFFFAOYSA-N
XLogP0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide
CID 170244907
4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide
CID 154684223
[1-(5-formamido-5-oxopentan-2-yl)-2-oxobenzo[cd]indol-4-yl] trifluoromethanesulfonate
CID 163258938
N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
CID 154684406
ethane;4-(5-ethyl-1,3-dioxobenzo[de]isoquinolin-2-yl)-N-formylpentanamide
CID 156802752
ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide
CID 170584059
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-formylpentanamide
CID 170624656
4-[4-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-1,3-dioxoisoindol-2-yl]-N-formylpentanamide;buta-1,3-diene;ethane
CID 145382150
[1-[2-(5-formamido-5-oxopentan-2-yl)-3-oxo-2,10-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-9-yl]cyclopropyl] formate
CID 155207775
N-formyl-4-[2-oxo-6-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)benzo[cd]indol-1-yl]pentanamide
CID 155710612
4-[4-(4-aminobutoxy)-1,3-dioxoisoindol-2-yl]-N-formylpentanamide;propane
CID 145256251
N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide
CID 170097464

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide?
The IUPAC name of N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide (CID 167469919) is N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide.
What is the SMILES notation for N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide?
The canonical SMILES for N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide is C=c1cccc2c1=C(C)C(=O)N2C(C)CCC(=O)NC=O.
What is the InChIKey of N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide?
The InChIKey is ZFOZJMHSORTZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-5-4-6-13-15(10)12(3)16(21)18(13)11(2)7-8-14(20)17-9-19/h4-6,9,11H,1,7-8H2,2-3H3,(H,17,19,20).
What are the key properties of N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide?
N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide has a molecular weight of 286.33 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide is sourced from PubChem (CID 167469919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).