3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide

C15H24N2O — CID 55098195

IUPAC3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C(C)NCCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)17-15(18)9-10-16-13(4)14-7-5-12(3)6-8-14/h5-8,11,13,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyZUDZUXDDGPQRGO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.56
Rot. Bonds6

About 3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide

3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 55098195) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID55098195
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C(C)NCCC(=O)NC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)17-15(18)9-10-16-13(4)14-7-5-12(3)6-8-14/h5-8,11,13,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyZUDZUXDDGPQRGO-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[1-(4-methylphenyl)ethylamino]propanamide
CID 62325873
3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 115579678
3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 112700113
methyl 3-[1-(4-methylphenyl)ethylamino]propanoate
CID 43139755
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 55098145
N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 28684626
methyl 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81355699
N,N-dimethyl-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanamide
CID 81356992
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide (CID 55098195) is 3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide is Cc1ccc(C(C)NCCC(=O)NC(C)C)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is ZUDZUXDDGPQRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)17-15(18)9-10-16-13(4)14-7-5-12(3)6-8-14/h5-8,11,13,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide?
3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 55098195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).