N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide

C13H20N2O2 — CID 55033188

IUPACN-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC(C)CCN
InChIInChI=1S/C13H20N2O2/c1-10(7-8-14)15-13(16)9-11-5-3-4-6-12(11)17-2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyZVKMWFSWOUCNFL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.09
Rot. Bonds6

About N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide

N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 55033188) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID55033188
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC(C)CCN
InChIInChI=1S/C13H20N2O2/c1-10(7-8-14)15-13(16)9-11-5-3-4-6-12(11)17-2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyZVKMWFSWOUCNFL-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
N-(4-hydroxy-4-phenylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 71919972
N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
CID 106354657
N-[1-(4-aminophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 43297450
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one
CID 116581758
(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 25367347
N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
CID 120504695
N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 120505995

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide (CID 55033188) is N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC(C)CCN.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is ZVKMWFSWOUCNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(7-8-14)15-13(16)9-11-5-3-4-6-12(11)17-2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide?
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 55033188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).