3-(4-acetamidoanilino)-2-methylpropanamide

C12H17N3O2 — CID 43311999

IUPAC3-(4-acetamidoanilino)-2-methylpropanamide
SMILESCC(=O)Nc1ccc(NCC(C)C(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-8(12(13)17)7-14-10-3-5-11(6-4-10)15-9(2)16/h3-6,8,14H,7H2,1-2H3,(H2,13,17)(H,15,16)
InChIKeyLAZYHOGALUPKKZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.18
Rot. Bonds5

About 3-(4-acetamidoanilino)-2-methylpropanamide

3-(4-acetamidoanilino)-2-methylpropanamide (PubChem CID 43311999) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(4-acetamidoanilino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-acetamidoanilino)-2-methylpropanamide
PubChem CID43311999
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(4-acetamidoanilino)-2-methylpropanamide
SMILESCC(=O)Nc1ccc(NCC(C)C(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-8(12(13)17)7-14-10-3-5-11(6-4-10)15-9(2)16/h3-6,8,14H,7H2,1-2H3,(H2,13,17)(H,15,16)
InChIKeyLAZYHOGALUPKKZ-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-cyanopropylamino)phenyl]acetamide
CID 43245372
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
3-(4-bromo-3-methoxyanilino)-2-methylpropanamide
CID 82867694
[4-(2-ethylbutylamino)phenyl]urea
CID 43744912
methyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316695
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
methyl 2-acetamido-3-(4-propan-2-yloxyanilino)propanoate
CID 103236649
(2S)-3-(4-chloroanilino)-2-methylpropanoic acid
CID 93107526
3-(2,6-difluoroanilino)-2-methylpropanamide
CID 43312157
methyl 2-acetamido-3-(3,4-dimethoxyanilino)propanoate
CID 103232986
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidoanilino)-2-methylpropanamide?
The IUPAC name of 3-(4-acetamidoanilino)-2-methylpropanamide (CID 43311999) is 3-(4-acetamidoanilino)-2-methylpropanamide.
What is the SMILES notation for 3-(4-acetamidoanilino)-2-methylpropanamide?
The canonical SMILES for 3-(4-acetamidoanilino)-2-methylpropanamide is CC(=O)Nc1ccc(NCC(C)C(N)=O)cc1.
What is the InChIKey of 3-(4-acetamidoanilino)-2-methylpropanamide?
The InChIKey is LAZYHOGALUPKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(12(13)17)7-14-10-3-5-11(6-4-10)15-9(2)16/h3-6,8,14H,7H2,1-2H3,(H2,13,17)(H,15,16).
What are the key properties of 3-(4-acetamidoanilino)-2-methylpropanamide?
3-(4-acetamidoanilino)-2-methylpropanamide has a molecular weight of 235.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidoanilino)-2-methylpropanamide is sourced from PubChem (CID 43311999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).