2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide

C16H26N2O — CID 115152378

IUPAC2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CNC(=O)C(C)N
InChIInChI=1S/C16H26N2O/c1-10-7-13(16(4,5)6)8-11(2)14(10)9-18-15(19)12(3)17/h7-8,12H,9,17H2,1-6H3,(H,18,19)
InChIKeyXDBPPOWTDALKII-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.56
Rot. Bonds3

About 2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide

2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide (PubChem CID 115152378) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
PubChem CID115152378
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CNC(=O)C(C)N
InChIInChI=1S/C16H26N2O/c1-10-7-13(16(4,5)6)8-11(2)14(10)9-18-15(19)12(3)17/h7-8,12H,9,17H2,1-6H3,(H,18,19)
InChIKeyXDBPPOWTDALKII-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide
CID 115191842
2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide
CID 115152518
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-hydroxypropanamide
CID 115139038
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 94686299
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
CID 119288877
2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide
CID 116848629
(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide
CID 131107412
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187544
3-amino-4-oxo-4-[(2,4,6-trimethylphenyl)methylamino]butanoic acid
CID 115181303

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide (CID 115152378) is 2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide is Cc1cc(C(C)(C)C)cc(C)c1CNC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide?
The InChIKey is XDBPPOWTDALKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-7-13(16(4,5)6)8-11(2)14(10)9-18-15(19)12(3)17/h7-8,12H,9,17H2,1-6H3,(H,18,19).
What are the key properties of 2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide?
2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.56, 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-2,6-dimethylphenyl)methyl]propanamide is sourced from PubChem (CID 115152378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).