N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide

C18H27N3O3 — CID 86829882

IUPACN-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNC(=O)CC(C)(C)C)c1
InChIInChI=1S/C18H27N3O3/c1-5-7-15(22)20-13-8-6-9-14(10-13)21-17(24)12-19-16(23)11-18(2,3)4/h6,8-10H,5,7,11-12H2,1-4H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyAJNYLIBVHUVEGG-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.92
Rot. Bonds7

About N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 86829882) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID86829882
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CNC(=O)CC(C)(C)C)c1
InChIInChI=1S/C18H27N3O3/c1-5-7-15(22)20-13-8-6-9-14(10-13)21-17(24)12-19-16(23)11-18(2,3)4/h6,8-10H,5,7,11-12H2,1-4H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyAJNYLIBVHUVEGG-UHFFFAOYSA-N
XLogP2.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide
CID 47292724
3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide
CID 51091817
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide
CID 54812294
tert-butyl N-[2-oxo-2-[3-(pentanoylamino)anilino]ethyl]carbamate
CID 108917175
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
3,3-dimethyl-N-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]butanamide
CID 60565767
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 86829882) is N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide is CCCC(=O)Nc1cccc(NC(=O)CNC(=O)CC(C)(C)C)c1.
What is the InChIKey of N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is AJNYLIBVHUVEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-5-7-15(22)20-13-8-6-9-14(10-13)21-17(24)12-19-16(23)11-18(2,3)4/h6,8-10H,5,7,11-12H2,1-4H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 333.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(butanoylamino)anilino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 86829882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).