N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C25H21N3O4 — CID 23993693

IUPACN-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21N3O4/c29-21(15-16-28-23(30)19-13-7-8-14-20(19)24(28)31)26-25(32)27-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,22H,15-16H2,(H2,26,27,29,32)
InChIKeyZYPSZOORDULQKT-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.29
Rot. Bonds6

About N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 23993693) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID23993693
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21N3O4/c29-21(15-16-28-23(30)19-13-7-8-14-20(19)24(28)31)26-25(32)27-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,22H,15-16H2,(H2,26,27,29,32)
InChIKeyZYPSZOORDULQKT-UHFFFAOYSA-N
XLogP3.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(benzhydrylcarbamothioyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19189102
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
3-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55583655
1-benzhydryl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108874846
1-benzhydryl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889375
3-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethylcarbamothioyl)propanamide
CID 19189100
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8936932
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 27782319
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 42896543
2-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 1312829
4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 23993693) is N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is ZYPSZOORDULQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c29-21(15-16-28-23(30)19-13-7-8-14-20(19)24(28)31)26-25(32)27-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,22H,15-16H2,(H2,26,27,29,32).
What are the key properties of N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 427.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylcarbamoyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 23993693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).