3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide

C15H23ClN2O2 — CID 60927791

IUPAC3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CCNC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-5-20-13-7-6-11(16)10-12(13)18-14(19)8-9-17-15(2,3)4/h6-7,10,17H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyABGLMUNXOUAXBK-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.46
Rot. Bonds6

About 3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide

3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide (PubChem CID 60927791) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide
PubChem CID60927791
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CCNC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-5-20-13-7-6-11(16)10-12(13)18-14(19)8-9-17-15(2,3)4/h6-7,10,17H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyABGLMUNXOUAXBK-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
N-(5-chloro-2-ethoxyphenyl)-3-(cyclopropylamino)propanamide
CID 54862719
3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60928405
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide (CID 60927791) is 3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide is CCOc1ccc(Cl)cc1NC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide?
The InChIKey is ABGLMUNXOUAXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-5-20-13-7-6-11(16)10-12(13)18-14(19)8-9-17-15(2,3)4/h6-7,10,17H,5,8-9H2,1-4H3,(H,18,19).
What are the key properties of 3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide?
3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide has a molecular weight of 298.81 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide is sourced from PubChem (CID 60927791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).