N-tert-butyl-3-(4-methylanilino)propanamide

C14H22N2O — CID 109031320

IUPACN-tert-butyl-3-(4-methylanilino)propanamide
SMILESCc1ccc(NCCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)15-10-9-13(17)16-14(2,3)4/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyVEUBAOUEKVCCGX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.71
Rot. Bonds4

About N-tert-butyl-3-(4-methylanilino)propanamide

N-tert-butyl-3-(4-methylanilino)propanamide (PubChem CID 109031320) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-tert-butyl-3-(4-methylanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-methylanilino)propanamide
PubChem CID109031320
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-tert-butyl-3-(4-methylanilino)propanamide
SMILESCc1ccc(NCCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)15-10-9-13(17)16-14(2,3)4/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyVEUBAOUEKVCCGX-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342
N-tert-butyl-3-(4-cyanoanilino)propanamide
CID 109031416
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
N-tert-butyl-3-(2,6-dimethylanilino)propanamide
CID 109031328
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019825
N-(5-chloro-2-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034457
N-tert-butyl-3-(3-chloroanilino)propanamide
CID 109031344

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-methylanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(4-methylanilino)propanamide (CID 109031320) is N-tert-butyl-3-(4-methylanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(4-methylanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(4-methylanilino)propanamide is Cc1ccc(NCCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-3-(4-methylanilino)propanamide?
The InChIKey is VEUBAOUEKVCCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)15-10-9-13(17)16-14(2,3)4/h5-8,15H,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-3-(4-methylanilino)propanamide?
N-tert-butyl-3-(4-methylanilino)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-methylanilino)propanamide is sourced from PubChem (CID 109031320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).