2-(4-tert-butylanilino)-N-methylpropanamide

C14H22N2O — CID 43085951

IUPAC2-(4-tert-butylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-10(13(17)15-5)16-12-8-6-11(7-9-12)14(2,3)4/h6-10,16H,1-5H3,(H,15,17)
InChIKeyNWUOUGIXHQXLPJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.53
Rot. Bonds3

About 2-(4-tert-butylanilino)-N-methylpropanamide

2-(4-tert-butylanilino)-N-methylpropanamide (PubChem CID 43085951) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-N-methylpropanamide
PubChem CID43085951
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-tert-butylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-10(13(17)15-5)16-12-8-6-11(7-9-12)14(2,3)4/h6-10,16H,1-5H3,(H,15,17)
InChIKeyNWUOUGIXHQXLPJ-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
2-(4-acetylanilino)-N-methylpropanamide
CID 115573414
N-benzyl-2-(4-tert-butylanilino)propanamide
CID 134062813
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
2-(4-carbamothioylanilino)-N-methylpropanamide
CID 61467405
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
N-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide
CID 133429366
2-amino-2-(4-tert-butylphenyl)-N-methylacetamide
CID 83535922
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
4-tert-butyl-N-(3-methylbutan-2-yl)aniline
CID 43111550

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-N-methylpropanamide?
The IUPAC name of 2-(4-tert-butylanilino)-N-methylpropanamide (CID 43085951) is 2-(4-tert-butylanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(4-tert-butylanilino)-N-methylpropanamide?
The canonical SMILES for 2-(4-tert-butylanilino)-N-methylpropanamide is CNC(=O)C(C)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)-N-methylpropanamide?
The InChIKey is NWUOUGIXHQXLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(13(17)15-5)16-12-8-6-11(7-9-12)14(2,3)4/h6-10,16H,1-5H3,(H,15,17).
What are the key properties of 2-(4-tert-butylanilino)-N-methylpropanamide?
2-(4-tert-butylanilino)-N-methylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-N-methylpropanamide is sourced from PubChem (CID 43085951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).