3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide

C13H19ClN2O2 — CID 64683487

IUPAC3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CC(C)(C)N
InChIInChI=1S/C13H19ClN2O2/c1-4-18-11-6-5-9(14)7-10(11)16-12(17)8-13(2,3)15/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyXSTDTMHTJKKKPZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.80
Rot. Bonds5

About 3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide

3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide (PubChem CID 64683487) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
PubChem CID64683487
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CC(C)(C)N
InChIInChI=1S/C13H19ClN2O2/c1-4-18-11-6-5-9(14)7-10(11)16-12(17)8-13(2,3)15/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyXSTDTMHTJKKKPZ-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927791
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
1-amino-N-(5-chloro-2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463820
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
N-(5-chloro-2-ethoxyphenyl)-3-(cyclopropylamino)propanamide
CID 54862719
2-(4-bromophenoxy)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 60536138

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide (CID 64683487) is 3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide is CCOc1ccc(Cl)cc1NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide?
The InChIKey is XSTDTMHTJKKKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-18-11-6-5-9(14)7-10(11)16-12(17)8-13(2,3)15/h5-7H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide?
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide has a molecular weight of 270.76 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 64683487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).