2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide

C14H21N3O3 — CID 60962465

IUPAC2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide
SMILESCCOc1ccccc1CN(C)C(=O)C(N)CC(N)=O
InChIInChI=1S/C14H21N3O3/c1-3-20-12-7-5-4-6-10(12)9-17(2)14(19)11(15)8-13(16)18/h4-7,11H,3,8-9,15H2,1-2H3,(H2,16,18)
InChIKeyUQEWZWMLFHKKLR-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.25
Rot. Bonds7

About 2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide

2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide (PubChem CID 60962465) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide.

Molecular Properties

Compound Name2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide
PubChem CID60962465
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide
SMILESCCOc1ccccc1CN(C)C(=O)C(N)CC(N)=O
InChIInChI=1S/C14H21N3O3/c1-3-20-12-7-5-4-6-10(12)9-17(2)14(19)11(15)8-13(16)18/h4-7,11H,3,8-9,15H2,1-2H3,(H2,16,18)
InChIKeyUQEWZWMLFHKKLR-UHFFFAOYSA-N
XLogP0.25
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62474844
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662
2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide
CID 81071354
2-bromo-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54876015
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119681273
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115452916
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide?
The IUPAC name of 2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide (CID 60962465) is 2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide.
What is the SMILES notation for 2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide?
The canonical SMILES for 2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide is CCOc1ccccc1CN(C)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide?
The InChIKey is UQEWZWMLFHKKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-20-12-7-5-4-6-10(12)9-17(2)14(19)11(15)8-13(16)18/h4-7,11H,3,8-9,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide?
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide has a molecular weight of 279.34 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide is sourced from PubChem (CID 60962465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).