2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide

C13H20N2O2 — CID 43649353

IUPAC2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCCC(N)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-12(14)13(16)15-9-8-10-4-6-11(17-2)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyZQFHQXYYSPCPRA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.09
Rot. Bonds6

About 2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide

2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 43649353) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
PubChem CID43649353
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCCC(N)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-12(14)13(16)15-9-8-10-4-6-11(17-2)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyZQFHQXYYSPCPRA-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

(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
3-amino-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 18330162
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2R)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfanylbutanamide
CID 104906757
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
2-amino-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 68730670
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 76924867

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide (CID 43649353) is 2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide is CCC(N)C(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of 2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is ZQFHQXYYSPCPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-12(14)13(16)15-9-8-10-4-6-11(17-2)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide?
2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide 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 2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 43649353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).