2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide

C13H20N2O2 — CID 54869918

IUPAC2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCN(C)C(=O)C(C)N)cc1
InChIInChI=1S/C13H20N2O2/c1-10-4-6-12(7-5-10)17-9-8-15(3)13(16)11(2)14/h4-7,11H,8-9,14H2,1-3H3
InChIKeyCBPBQGROZVGBKG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.18
Rot. Bonds5

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

2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide (PubChem CID 54869918) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
PubChem CID54869918
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCN(C)C(=O)C(C)N)cc1
InChIInChI=1S/C13H20N2O2/c1-10-4-6-12(7-5-10)17-9-8-15(3)13(16)11(2)14/h4-7,11H,8-9,14H2,1-3H3
InChIKeyCBPBQGROZVGBKG-UHFFFAOYSA-N
XLogP1.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119695394
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 86909753
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286550
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
(2S)-2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306168
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The IUPAC name of 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide (CID 54869918) is 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide is Cc1ccc(OCCN(C)C(=O)C(C)N)cc1.
What is the InChIKey of 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
The InChIKey is CBPBQGROZVGBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-4-6-12(7-5-10)17-9-8-15(3)13(16)11(2)14/h4-7,11H,8-9,14H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide?
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 54869918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).