3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide

C15H24N2O2 — CID 65264450

IUPAC3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
SMILESCOCc1cccc(NC(=O)C(C)(C)C(C)(C)N)c1
InChIInChI=1S/C15H24N2O2/c1-14(2,15(3,4)16)13(18)17-12-8-6-7-11(9-12)10-19-5/h6-9H,10,16H2,1-5H3,(H,17,18)
InChIKeyBIWXKQSSOLFBAR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.54
Rot. Bonds5

About 3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide

3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide (PubChem CID 65264450) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
PubChem CID65264450
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
SMILESCOCc1cccc(NC(=O)C(C)(C)C(C)(C)N)c1
InChIInChI=1S/C15H24N2O2/c1-14(2,15(3,4)16)13(18)17-12-8-6-7-11(9-12)10-19-5/h6-9H,10,16H2,1-5H3,(H,17,18)
InChIKeyBIWXKQSSOLFBAR-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 104644204
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
CID 65264374
2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 114994953
3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 65264954
2-(methanesulfonamido)-N-[3-(methoxymethyl)phenyl]-3,3-dimethylbutanamide
CID 71913681
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218
4-hydrazinyl-N-[3-(methoxymethyl)phenyl]benzamide
CID 62247351

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide (CID 65264450) is 3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide is COCc1cccc(NC(=O)C(C)(C)C(C)(C)N)c1.
What is the InChIKey of 3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide?
The InChIKey is BIWXKQSSOLFBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,15(3,4)16)13(18)17-12-8-6-7-11(9-12)10-19-5/h6-9H,10,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide?
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).