3-(4-methylanilino)-N-propan-2-ylpropanamide

C13H20N2O — CID 60644223

IUPAC3-(4-methylanilino)-N-propan-2-ylpropanamide
SMILESCc1ccc(NCCC(=O)NC(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)15-13(16)8-9-14-12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyHTQHDHUWWRTIRU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds5

About 3-(4-methylanilino)-N-propan-2-ylpropanamide

3-(4-methylanilino)-N-propan-2-ylpropanamide (PubChem CID 60644223) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(4-methylanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-methylanilino)-N-propan-2-ylpropanamide
PubChem CID60644223
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(4-methylanilino)-N-propan-2-ylpropanamide
SMILESCc1ccc(NCCC(=O)NC(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)15-13(16)8-9-14-12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyHTQHDHUWWRTIRU-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-4-methylanilino)-N-propan-2-ylpropanamide
CID 63333816
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 55098195
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
CID 62623240
3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-methylanilino)-N-propan-2-ylpropanamide (CID 60644223) is 3-(4-methylanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-methylanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-methylanilino)-N-propan-2-ylpropanamide is Cc1ccc(NCCC(=O)NC(C)C)cc1.
What is the InChIKey of 3-(4-methylanilino)-N-propan-2-ylpropanamide?
The InChIKey is HTQHDHUWWRTIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)15-13(16)8-9-14-12-6-4-11(3)5-7-12/h4-7,10,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 3-(4-methylanilino)-N-propan-2-ylpropanamide?
3-(4-methylanilino)-N-propan-2-ylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 60644223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).