2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide

C15H24N2O — CID 115152398

IUPAC2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
SMILESCc1cc(C(C)(C)C)ccc1CNC(=O)C(C)N
InChIInChI=1S/C15H24N2O/c1-10-8-13(15(3,4)5)7-6-12(10)9-17-14(18)11(2)16/h6-8,11H,9,16H2,1-5H3,(H,17,18)
InChIKeyWFQUPGMRYRVJSA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide

2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide (PubChem CID 115152398) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
PubChem CID115152398
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
SMILESCc1cc(C(C)(C)C)ccc1CNC(=O)C(C)N
InChIInChI=1S/C15H24N2O/c1-10-8-13(15(3,4)5)7-6-12(10)9-17-14(18)11(2)16/h6-8,11H,9,16H2,1-5H3,(H,17,18)
InChIKeyWFQUPGMRYRVJSA-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide
CID 115152518
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
CID 115152378
2-amino-N-[(2,3,4-trimethylphenyl)methyl]propanamide
CID 115152411
N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
N-[(4-tert-butyl-2-methylphenyl)methyl]-4-hydroxybutanamide
CID 115163000
(2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 99829185
3-[(2,4-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 115164254
(2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 99829225
2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one
CID 82493916
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide (CID 115152398) is 2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide is Cc1cc(C(C)(C)C)ccc1CNC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide?
The InChIKey is WFQUPGMRYRVJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-8-13(15(3,4)5)7-6-12(10)9-17-14(18)11(2)16/h6-8,11H,9,16H2,1-5H3,(H,17,18).
What are the key properties of 2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide?
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 115152398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).