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

C14H22N2O2 — CID 81489935

IUPAC3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCCOc1cccc(CNC(=O)C(C)(C)CN)c1
InChIInChI=1S/C14H22N2O2/c1-4-18-12-7-5-6-11(8-12)9-16-13(17)14(2,3)10-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17)
InChIKeyPFEBYTRIMGSIOY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.69
Rot. Bonds6

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

3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 81489935) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
PubChem CID81489935
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
SMILESCCOc1cccc(CNC(=O)C(C)(C)CN)c1
InChIInChI=1S/C14H22N2O2/c1-4-18-12-7-5-6-11(8-12)9-16-13(17)14(2,3)10-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17)
InChIKeyPFEBYTRIMGSIOY-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 55245625
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119775484
6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
CID 65290667
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 65230237
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 60872199
3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 66746123
3-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide (CID 81489935) is 3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide is CCOc1cccc(CNC(=O)C(C)(C)CN)c1.
What is the InChIKey of 3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is PFEBYTRIMGSIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-18-12-7-5-6-11(8-12)9-16-13(17)14(2,3)10-15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide?
3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 81489935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).