N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide

C22H19N3O3 — CID 86872751

IUPACN-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C22H19N3O3/c26-20(25-18-8-7-17-13-24-22(28)19(17)12-18)9-10-23-21(27)16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-12H,9-10,13H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyAQUVZFXLZJJOMQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.84
Rot. Bonds5

About N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide

N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide (PubChem CID 86872751) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide
PubChem CID86872751
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C22H19N3O3/c26-20(25-18-8-7-17-13-24-22(28)19(17)12-18)9-10-23-21(27)16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-12H,9-10,13H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyAQUVZFXLZJJOMQ-UHFFFAOYSA-N
XLogP2.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55596125
3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
CID 86872687
N-[3-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056263
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 38629448
N-[3-[3-chloro-4-(2-methoxyethylcarbamoyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55877259
N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 86872801
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
CID 86872777
N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide
CID 46589497
6-oxo-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyridine-3-carboxamide
CID 75418529
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide (CID 86872751) is N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)C(=O)NC2.
What is the InChIKey of N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide?
The InChIKey is AQUVZFXLZJJOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-20(25-18-8-7-17-13-24-22(28)19(17)12-18)9-10-23-21(27)16-6-5-14-3-1-2-4-15(14)11-16/h1-8,11-12H,9-10,13H2,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide?
N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 86872751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).