N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide

C22H28N2O2 — CID 55505497

IUPACN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CC(C)C)c1
InChIInChI=1S/C22H28N2O2/c1-16(2)13-22(26)24(15-19-9-6-5-7-10-19)17(3)20-11-8-12-21(14-20)23-18(4)25/h5-12,14,16-17H,13,15H2,1-4H3,(H,23,25)
InChIKeyWBKQODWFQDYDOK-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.78
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide (PubChem CID 55505497) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide
PubChem CID55505497
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CC(C)C)c1
InChIInChI=1S/C22H28N2O2/c1-16(2)13-22(26)24(15-19-9-6-5-7-10-19)17(3)20-11-8-12-21(14-20)23-18(4)25/h5-12,14,16-17H,13,15H2,1-4H3,(H,23,25)
InChIKeyWBKQODWFQDYDOK-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide
CID 30126182
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16611716
(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-(2-oxo-1-pyridinyl)propanamide
CID 86979589
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(prop-2-enoylamino)benzamide
CID 167864313
N-[3-[2-[1-(3-acetamidophenyl)ethyl-benzylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55633083
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
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55504888
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55505752
2-[[(1S)-1-(3-acetamidophenyl)ethyl]-benzylamino]-N-prop-2-ynylacetamide
CID 51932586

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide (CID 55505497) is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide is CC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CC(C)C)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide?
The InChIKey is WBKQODWFQDYDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)13-22(26)24(15-19-9-6-5-7-10-19)17(3)20-11-8-12-21(14-20)23-18(4)25/h5-12,14,16-17H,13,15H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide?
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide has a molecular weight of 352.48 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide is sourced from PubChem (CID 55505497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).