N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide

C15H18N2O3 — CID 154684406

IUPACN-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCc1cccc2c1C(=O)N(C(C)CCC(=O)NC=O)C2
InChIInChI=1S/C15H18N2O3/c1-10-4-3-5-12-8-17(15(20)14(10)12)11(2)6-7-13(19)16-9-18/h3-5,9,11H,6-8H2,1-2H3,(H,16,18,19)
InChIKeyMQAIVXCTDSCEDE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.39
Rot. Bonds5

About N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide

N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 154684406) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound NameN-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID154684406
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCc1cccc2c1C(=O)N(C(C)CCC(=O)NC=O)C2
InChIInChI=1S/C15H18N2O3/c1-10-4-3-5-12-8-17(15(20)14(10)12)11(2)6-7-13(19)16-9-18/h3-5,9,11H,6-8H2,1-2H3,(H,16,18,19)
InChIKeyMQAIVXCTDSCEDE-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.39
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

4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 177161201
4-(7-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide;2,2,4-trimethylpentanoic acid
CID 170590672
2-(3-hydroxy-3-methylbutan-2-yl)-7-methyl-3H-isoindol-1-one
CID 163382517
4-[7-(6-bromohexylsulfanyl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 166921268
N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide
CID 170244907
ethane;N-formyl-4-(7-methyl-2-oxo-1,3-benzoxazol-3-yl)pentanamide
CID 170584059
3-[2-[2-[2-[[(Z)-2-amino-2-(4-aminophenyl)ethenyl]amino]ethoxy]ethoxy]ethoxy]propanamide;N-formyl-4-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 156883005
N-formyl-4-[6-(4-formylpiperazin-1-yl)-5-methoxy-3-oxo-1H-isoindol-2-yl]pentanamide
CID 170070661
N-formyl-4-(3-methyl-4-methylidene-2-oxoindol-1-yl)pentanamide
CID 167469919
3,3-difluoro-N-propan-2-ylcyclohexan-1-amine;N-formyl-4-(6-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
CID 169190998
4-[7-[7-(tert-butylamino)heptylsulfanyl]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 166921192
ethane;4-[3-ethenyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]-N-formylpentanamide
CID 172587358

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide (CID 154684406) is N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide is Cc1cccc2c1C(=O)N(C(C)CCC(=O)NC=O)C2.
What is the InChIKey of N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is MQAIVXCTDSCEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-4-3-5-12-8-17(15(20)14(10)12)11(2)6-7-13(19)16-9-18/h3-5,9,11H,6-8H2,1-2H3,(H,16,18,19).
What are the key properties of N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide?
N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 274.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 154684406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).