N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide

C14H19N3O3 — CID 47292724

IUPACN-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H19N3O3/c1-3-5-13(19)15-9-14(20)17-12-7-4-6-11(8-12)16-10(2)18/h4,6-8H,3,5,9H2,1-2H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyRROOWOMIIXHWBG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.50
Rot. Bonds6

About N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide

N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide (PubChem CID 47292724) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide
PubChem CID47292724
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H19N3O3/c1-3-5-13(19)15-9-14(20)17-12-7-4-6-11(8-12)16-10(2)18/h4,6-8H,3,5,9H2,1-2H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyRROOWOMIIXHWBG-UHFFFAOYSA-N
XLogP1.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829882
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397
N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 112998618
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide
CID 54812294
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide (CID 47292724) is N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide?
The InChIKey is RROOWOMIIXHWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-5-13(19)15-9-14(20)17-12-7-4-6-11(8-12)16-10(2)18/h4,6-8H,3,5,9H2,1-2H3,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide?
N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide has a molecular weight of 277.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 47292724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).