4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide

C18H24N2O3 — CID 177161201

IUPAC4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
SMILESCCC(C)c1ccc2c(c1)CN(C(C)CCC(=O)NC=O)C2=O
InChIInChI=1S/C18H24N2O3/c1-4-12(2)14-6-7-16-15(9-14)10-20(18(16)23)13(3)5-8-17(22)19-11-21/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,19,21,22)
InChIKeyKEYARMKYELCYFC-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.60
Rot. Bonds7

About 4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide

4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide (PubChem CID 177161201) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide.

Molecular Properties

Compound Name4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
PubChem CID177161201
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
SMILESCCC(C)c1ccc2c(c1)CN(C(C)CCC(=O)NC=O)C2=O
InChIInChI=1S/C18H24N2O3/c1-4-12(2)14-6-7-16-15(9-14)10-20(18(16)23)13(3)5-8-17(22)19-11-21/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,19,21,22)
InChIKeyKEYARMKYELCYFC-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.60
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

3,3-difluoro-N-propan-2-ylcyclohexan-1-amine;N-formyl-4-(6-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
CID 169190998
N-formyl-4-(4-methyl-3-oxo-1H-isoindol-2-yl)pentanamide
CID 154684406
N-formyl-4-[6-(4-formylpiperazin-1-yl)-5-methoxy-3-oxo-1H-isoindol-2-yl]pentanamide
CID 170070661
CID 169190740
CID 169190740
4-(1,3-dioxo-5-propan-2-ylisoindol-2-yl)-N-formylpentanamide
CID 154684223
CID 169191001
CID 169191001
4-(6-amino-3-oxo-1H-isoindol-2-yl)pentanamide
CID 22093158
4-[6-[(2-amino-6-iodo-1,3-diazinan-4-yl)amino]-3-oxo-1H-isoindol-2-yl]-N-ethenylpentanamide
CID 156527999
4-[7-(6-bromohexylsulfanyl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 166921268
2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 166694732
N-[5-[6-(3-chloropiperidin-4-yl)-3-oxo-1H-isoindol-2-yl]hex-1-en-2-yl]formamide
CID 167257713
cyclopentane;ethane;4-[[4-[2-(5-formamido-5-oxopentan-2-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]-N-(1H-pyrazol-5-yl)benzamide
CID 170612425

Frequently Asked Questions

What is the IUPAC name of 4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide?
The IUPAC name of 4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide (CID 177161201) is 4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide.
What is the SMILES notation for 4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide?
The canonical SMILES for 4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide is CCC(C)c1ccc2c(c1)CN(C(C)CCC(=O)NC=O)C2=O.
What is the InChIKey of 4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide?
The InChIKey is KEYARMKYELCYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-12(2)14-6-7-16-15(9-14)10-20(18(16)23)13(3)5-8-17(22)19-11-21/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,19,21,22).
What are the key properties of 4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide?
4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide has a molecular weight of 316.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-butan-2-yl-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide is sourced from PubChem (CID 177161201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).