2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide

C15H24N2O — CID 115152451

IUPAC2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
SMILESCc1ccc(C(C)C)cc1CN(C)C(=O)C(C)N
InChIInChI=1S/C15H24N2O/c1-10(2)13-7-6-11(3)14(8-13)9-17(5)15(18)12(4)16/h6-8,10,12H,9,16H2,1-5H3
InChIKeyKRVOKGWVDCZNIV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds4

About 2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide

2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide (PubChem CID 115152451) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
PubChem CID115152451
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
SMILESCc1ccc(C(C)C)cc1CN(C)C(=O)C(C)N
InChIInChI=1S/C15H24N2O/c1-10(2)13-7-6-11(3)14(8-13)9-17(5)15(18)12(4)16/h6-8,10,12H,9,16H2,1-5H3
InChIKeyKRVOKGWVDCZNIV-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115153748
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194809
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175799
3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115162579
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]carbamothioic S-acid
CID 115170441
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
CID 115137620
2-amino-3-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115179748
2-amino-3-hydroxy-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propanamide
CID 115180083
2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115179983
(2S)-2-amino-N-[(2-iodophenyl)methyl]-N-methylpropanamide
CID 66568428

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide (CID 115152451) is 2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide is Cc1ccc(C(C)C)cc1CN(C)C(=O)C(C)N.
What is the InChIKey of 2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is KRVOKGWVDCZNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)13-7-6-11(3)14(8-13)9-17(5)15(18)12(4)16/h6-8,10,12H,9,16H2,1-5H3.
What are the key properties of 2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 115152451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).