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

C15H24N2O — CID 43087569

IUPACN-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11-6-8-13(9-7-11)10-16-12(2)14(18)17-15(3,4)5/h6-9,12,16H,10H2,1-5H3,(H,17,18)
InChIKeyJFIYQWSILMVTBG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.39
Rot. Bonds4

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

N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide (PubChem CID 43087569) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
PubChem CID43087569
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11-6-8-13(9-7-11)10-16-12(2)14(18)17-15(3,4)5/h6-9,12,16H,10H2,1-5H3,(H,17,18)
InChIKeyJFIYQWSILMVTBG-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetic acid
CID 103262777
N-tert-butyl-2-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103438042
N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide
CID 115693123
N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115588909
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
N-tert-butyl-2-(pyrimidin-5-ylmethylamino)propanamide
CID 112688824
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389
2-[(4-tert-butylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115750730
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide (CID 43087569) is N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide is Cc1ccc(CNC(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is JFIYQWSILMVTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-8-13(9-7-11)10-16-12(2)14(18)17-15(3,4)5/h6-9,12,16H,10H2,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide?
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 43087569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).