N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide

C19H26N4O4 — CID 156721862

IUPACN-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide
SMILESCCCNC(=O)NCc1ccc2c(c1)C(=O)N(C(CCC=O)C(=O)NC)C2
InChIInChI=1S/C19H26N4O4/c1-3-8-21-19(27)22-11-13-6-7-14-12-23(18(26)15(14)10-13)16(5-4-9-24)17(25)20-2/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3,(H,20,25)(H2,21,22,27)
InChIKeyDSRPKWUXLROYEM-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.95
Rot. Bonds9

About N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide

N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide (PubChem CID 156721862) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide.

Molecular Properties

Compound NameN-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide
PubChem CID156721862
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide
SMILESCCCNC(=O)NCc1ccc2c(c1)C(=O)N(C(CCC=O)C(=O)NC)C2
InChIInChI=1S/C19H26N4O4/c1-3-8-21-19(27)22-11-13-6-7-14-12-23(18(26)15(14)10-13)16(5-4-9-24)17(25)20-2/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3,(H,20,25)(H2,21,22,27)
InChIKeyDSRPKWUXLROYEM-UHFFFAOYSA-N
XLogP0.95
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 170731571
2-[6-[[(2-chloroacetyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 167232625
N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
2-[6-[(hexylcarbamoylamino)methyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 143637992
N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 168970319
ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 169161654
1-(4,5-dimethyl-2-pyridinyl)-3-[[2-(2,6-dioxohexan-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 143902215
2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane
CID 144752994
2-[5-(aminomethyl)-4-fluoro-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 176717984
2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727235
N-methyl-5-oxo-2-[3-oxo-7-(propanoylamino)-1H-isoindol-2-yl]pentanamide
CID 168945434
2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide
CID 170119033

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide?
The IUPAC name of N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide (CID 156721862) is N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide.
What is the SMILES notation for N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide?
The canonical SMILES for N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide is CCCNC(=O)NCc1ccc2c(c1)C(=O)N(C(CCC=O)C(=O)NC)C2.
What is the InChIKey of N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide?
The InChIKey is DSRPKWUXLROYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-3-8-21-19(27)22-11-13-6-7-14-12-23(18(26)15(14)10-13)16(5-4-9-24)17(25)20-2/h6-7,9-10,16H,3-5,8,11-12H2,1-2H3,(H,20,25)(H2,21,22,27).
What are the key properties of N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide?
N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide has a molecular weight of 374.44 g/mol, XLogP of 0.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide is sourced from PubChem (CID 156721862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).