3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide

C15H24N2O2 — CID 81490013

IUPAC3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
SMILESCCOCc1ccccc1CNC(=O)C(C)(C)CN
InChIInChI=1S/C15H24N2O2/c1-4-19-10-13-8-6-5-7-12(13)9-17-14(18)15(2,3)11-16/h5-8H,4,9-11,16H2,1-3H3,(H,17,18)
InChIKeyXWIQJYMLSYYVOB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.82
Rot. Bonds7

About 3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide

3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 81490013) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID81490013
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
SMILESCCOCc1ccccc1CNC(=O)C(C)(C)CN
InChIInChI=1S/C15H24N2O2/c1-4-19-10-13-8-6-5-7-12(13)9-17-14(18)15(2,3)11-16/h5-8H,4,9-11,16H2,1-3H3,(H,17,18)
InChIKeyXWIQJYMLSYYVOB-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 103928994
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
CID 114290774
3-amino-2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119705501
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylpropanamide
CID 119718321
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193
3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834747
4-[[2-(ethoxymethyl)phenyl]methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991453
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide (CID 81490013) is 3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide is CCOCc1ccccc1CNC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is XWIQJYMLSYYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-10-13-8-6-5-7-12(13)9-17-14(18)15(2,3)11-16/h5-8H,4,9-11,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide?
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 81490013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).