N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C30H31N3O3 — CID 43078079

IUPACN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CCCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C30H31N3O3/c1-22(26-15-9-16-27(19-26)32-23(2)34)33(21-24-11-5-3-6-12-24)30(35)18-10-17-29-31-20-28(36-29)25-13-7-4-8-14-25/h3-9,11-16,19-20,22H,10,17-18,21H2,1-2H3,(H,32,34)
InChIKeyIKMGCULCOPRXJH-UHFFFAOYSA-N
MW481.60 g/mol
LogP6.41
Rot. Bonds10

About N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 43078079) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID43078079
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CCCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C30H31N3O3/c1-22(26-15-9-16-27(19-26)32-23(2)34)33(21-24-11-5-3-6-12-24)30(35)18-10-17-29-31-20-28(36-29)25-13-7-4-8-14-25/h3-9,11-16,19-20,22H,10,17-18,21H2,1-2H3,(H,32,34)
InChIKeyIKMGCULCOPRXJH-UHFFFAOYSA-N
XLogP6.41
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[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-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55505752
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16611716
N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide
CID 30126182
N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide
CID 41046714
(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide
CID 16583449
N-(3-acetamidophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422468
N-[3-[2-[1-(3-acetamidophenyl)ethyl-benzylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55633083
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55687069
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 43078079) is N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is CC(=O)Nc1cccc(C(C)N(Cc2ccccc2)C(=O)CCCc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is IKMGCULCOPRXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-22(26-15-9-16-27(19-26)32-23(2)34)33(21-24-11-5-3-6-12-24)30(35)18-10-17-29-31-20-28(36-29)25-13-7-4-8-14-25/h3-9,11-16,19-20,22H,10,17-18,21H2,1-2H3,(H,32,34).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 481.60 g/mol, XLogP of 6.41, 10 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-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 43078079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).