N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C26H30ClN3O4 — CID 132984599

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H30ClN3O4/c1-17(23(32)28-26(2,3)4)30(16-18-10-5-8-13-21(18)27)22(31)14-9-15-29-24(33)19-11-6-7-12-20(19)25(29)34/h5-8,10-13,17H,9,14-16H2,1-4H3,(H,28,32)
InChIKeyBZPGFAPXPVQOPG-UHFFFAOYSA-N
MW484.00 g/mol
LogP4.05
Rot. Bonds8

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 132984599) has the molecular formula C26H30ClN3O4 and a molecular weight of 484.00 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID132984599
Molecular FormulaC26H30ClN3O4
Molecular Weight484.00 g/mol
Exact Mass483.19
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H30ClN3O4/c1-17(23(32)28-26(2,3)4)30(16-18-10-5-8-13-21(18)27)22(31)14-9-15-29-24(33)19-11-6-7-12-20(19)25(29)34/h5-8,10-13,17H,9,14-16H2,1-4H3,(H,28,32)
InChIKeyBZPGFAPXPVQOPG-UHFFFAOYSA-N
XLogP4.05
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)-N-[1-(ethylamino)-1-oxopropan-2-yl]butanamide
CID 132675518
(2R)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[4-(1,3-dioxoisoindol-2-yl)butanoyl]amino]butanamide
CID 100695662
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100501761
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]propanamide
CID 132724467
4-(1,3-dioxoisoindol-2-yl)-N-[(2-methylphenyl)methyl]-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 100653456
4-(1,3-dioxoisoindol-2-yl)-N-[(2-methylphenyl)methyl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132674848
N-[(2-chlorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
CID 132727228
N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132717149
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-(2-oxobenzo[cd]indol-1-yl)butanamide
CID 132985405
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 133226070
N-[1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(3-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 133148337
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 125091373

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 132984599) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is CC(C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is BZPGFAPXPVQOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O4/c1-17(23(32)28-26(2,3)4)30(16-18-10-5-8-13-21(18)27)22(31)14-9-15-29-24(33)19-11-6-7-12-20(19)25(29)34/h5-8,10-13,17H,9,14-16H2,1-4H3,(H,28,32).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 484.00 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 132984599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).