N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide

C23H24N4O5 — CID 56516149

IUPACN-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NCCC(N)=O)cc2C1=O
InChIInChI=1S/C23H24N4O5/c1-2-3-12-27-22(31)15-9-8-14(13-17(15)23(27)32)20(29)26-18-7-5-4-6-16(18)21(30)25-11-10-19(24)28/h4-9,13H,2-3,10-12H2,1H3,(H2,24,28)(H,25,30)(H,26,29)
InChIKeyBNEXLBMBPYIQSM-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.94
Rot. Bonds9

About N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide

N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 56516149) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID56516149
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NCCC(N)=O)cc2C1=O
InChIInChI=1S/C23H24N4O5/c1-2-3-12-27-22(31)15-9-8-14(13-17(15)23(27)32)20(29)26-18-7-5-4-6-16(18)21(30)25-11-10-19(24)28/h4-9,13H,2-3,10-12H2,1H3,(H2,24,28)(H,25,30)(H,26,29)
InChIKeyBNEXLBMBPYIQSM-UHFFFAOYSA-N
XLogP1.94
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(5-amino-2-methylphenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 120568324
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-(3-methoxypropyl)-1,3-dioxo-N-[2-(prop-2-enylcarbamoyl)phenyl]isoindole-5-carboxamide
CID 37004930
N-(3-aminobutyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 119498610
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
5-bromo-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate
CID 2215982
2-[[2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 5221354
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119508443
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 46543344

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide (CID 56516149) is N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NCCC(N)=O)cc2C1=O.
What is the InChIKey of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BNEXLBMBPYIQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-2-3-12-27-22(31)15-9-8-14(13-17(15)23(27)32)20(29)26-18-7-5-4-6-16(18)21(30)25-11-10-19(24)28/h4-9,13H,2-3,10-12H2,1H3,(H2,24,28)(H,25,30)(H,26,29).
What are the key properties of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide?
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.94, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 56516149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).