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

C12H18N2O2 — CID 24710031

IUPAC2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N)cc1
InChIInChI=1S/C12H18N2O2/c1-9(13)12(15)14-8-7-10-3-5-11(16-2)6-4-10/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyCTQUCHXIYMFHNP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.70
Rot. Bonds5

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

2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 24710031) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID24710031
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N)cc1
InChIInChI=1S/C12H18N2O2/c1-9(13)12(15)14-8-7-10-3-5-11(16-2)6-4-10/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyCTQUCHXIYMFHNP-UHFFFAOYSA-N
XLogP0.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2S)-2-amino-N-[2-(4-methoxyphenyl)ethyl]-3-methylpentanamide
CID 22690831
2-amino-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 43649353
3-amino-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 18330162
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 76924867
2-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116536584
2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide
CID 112510933

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 24710031) is 2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)C(C)N)cc1.
What is the InChIKey of 2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is CTQUCHXIYMFHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(13)12(15)14-8-7-10-3-5-11(16-2)6-4-10/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide?
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.70, 5 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]propanamide is sourced from PubChem (CID 24710031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).