N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide

C14H22N2O2 — CID 66090213

IUPACN-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(C)CCN)c1
InChIInChI=1S/C14H22N2O2/c1-11(6-7-15)10-16-14(17)9-12-4-3-5-13(8-12)18-2/h3-5,8,11H,6-7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyVTBQEZNRTZFNOD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.34
Rot. Bonds7

About N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide

N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 66090213) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
PubChem CID66090213
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)NCC(C)CCN)c1
InChIInChI=1S/C14H22N2O2/c1-11(6-7-15)10-16-14(17)9-12-4-3-5-13(8-12)18-2/h3-5,8,11H,6-7,9-10,15H2,1-2H3,(H,16,17)
InChIKeyVTBQEZNRTZFNOD-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 113273646
N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 106116064
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide
CID 62666127
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
N-(4-amino-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 106140187
N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794
N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
CID 106130409
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
CID 66090435

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide (CID 66090213) is N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)NCC(C)CCN)c1.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is VTBQEZNRTZFNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(6-7-15)10-16-14(17)9-12-4-3-5-13(8-12)18-2/h3-5,8,11H,6-7,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide?
N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 66090213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).