N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide

C16H26N2O — CID 47177896

IUPACN-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide
SMILESCc1cc(C)c(CNCC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11-7-12(2)14(13(3)8-11)9-17-10-15(19)18-16(4,5)6/h7-8,17H,9-10H2,1-6H3,(H,18,19)
InChIKeySPLFVCOMOCYCOG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.62
Rot. Bonds4

About N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide

N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide (PubChem CID 47177896) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide
PubChem CID47177896
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide
SMILESCc1cc(C)c(CNCC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11-7-12(2)14(13(3)8-11)9-17-10-15(19)18-16(4,5)6/h7-8,17H,9-10H2,1-6H3,(H,18,19)
InChIKeySPLFVCOMOCYCOG-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812139
2-[(2,4,6-trimethylphenyl)methylamino]acetic acid
CID 43135215
N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide
CID 80712468
5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]thiophene-3-carboxylic acid
CID 115356130
N-tert-butyl-2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
CID 115356298
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide
CID 115761650
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
2-amino-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 83540532
2-(N-acetyl-2,4,6-trimethylanilino)-N-tert-butylacetamide
CID 113169988
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 115278913

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide (CID 47177896) is N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide is Cc1cc(C)c(CNCC(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide?
The InChIKey is SPLFVCOMOCYCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-12(2)14(13(3)8-11)9-17-10-15(19)18-16(4,5)6/h7-8,17H,9-10H2,1-6H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide?
N-tert-butyl-2-[(2,4,6-trimethylphenyl)methylamino]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.62, 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-[(2,4,6-trimethylphenyl)methylamino]acetamide is sourced from PubChem (CID 47177896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).