N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide

C27H25N3O4 — CID 16611716

IUPACN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C27H25N3O4/c1-18(21-11-8-12-22(15-21)28-19(2)31)29(16-20-9-4-3-5-10-20)25(32)17-30-26(33)23-13-6-7-14-24(23)27(30)34/h3-15,18H,16-17H2,1-2H3,(H,28,31)
InChIKeyYNPSMAKKTRCIRE-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.03
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 16611716) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID16611716
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C27H25N3O4/c1-18(21-11-8-12-22(15-21)28-19(2)31)29(16-20-9-4-3-5-10-20)25(32)17-30-26(33)23-13-6-7-14-24(23)27(30)34/h3-15,18H,16-17H2,1-2H3,(H,28,31)
InChIKeyYNPSMAKKTRCIRE-UHFFFAOYSA-N
XLogP4.03
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.03
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-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide
CID 55505497
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide
CID 86979589
N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide
CID 30126182
N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 43025130
(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide
CID 16583449
N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide
CID 41046714
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(prop-2-enoylamino)benzamide
CID 167864313
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55505752
N-[3-[2-[1-(3-acetamidophenyl)ethyl-benzylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55633083
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55504888
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55668527
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 43078079

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 16611716) is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide is CC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is YNPSMAKKTRCIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-18(21-11-8-12-22(15-21)28-19(2)31)29(16-20-9-4-3-5-10-20)25(32)17-30-26(33)23-13-6-7-14-24(23)27(30)34/h3-15,18H,16-17H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 455.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 16611716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).