2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide

C15H24N2O3 — CID 62474656

IUPAC2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
SMILESCOCCC(N)C(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C15H24N2O3/c1-12-5-4-6-13(11-12)20-10-8-17(2)15(18)14(16)7-9-19-3/h4-6,11,14H,7-10,16H2,1-3H3
InChIKeyQWBNXVUODLRLPW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.20
Rot. Bonds8

About 2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide

2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide (PubChem CID 62474656) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
PubChem CID62474656
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
SMILESCOCCC(N)C(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C15H24N2O3/c1-12-5-4-6-13(11-12)20-10-8-17(2)15(18)14(16)7-9-19-3/h4-6,11,14H,7-10,16H2,1-3H3
InChIKeyQWBNXVUODLRLPW-UHFFFAOYSA-N
XLogP1.20
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
CID 60946640
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119949182

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide (CID 62474656) is 2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide is COCCC(N)C(=O)N(C)CCOc1cccc(C)c1.
What is the InChIKey of 2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
The InChIKey is QWBNXVUODLRLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12-5-4-6-13(11-12)20-10-8-17(2)15(18)14(16)7-9-19-3/h4-6,11,14H,7-10,16H2,1-3H3.
What are the key properties of 2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 62474656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).