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

C14H21ClN2O2 — CID 54928228

IUPAC3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(C)(C)C
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)16-8-7-13(18)17-11-9-10(15)5-6-12(11)19-4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyIYVAHFSGVMTYBH-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.07
Rot. Bonds5

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

3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 54928228) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID54928228
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCNC(C)(C)C
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)16-8-7-13(18)17-11-9-10(15)5-6-12(11)19-4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18)
InChIKeyIYVAHFSGVMTYBH-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
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3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
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3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039100
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109039094

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide (CID 54928228) is 3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is IYVAHFSGVMTYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)16-8-7-13(18)17-11-9-10(15)5-6-12(11)19-4/h5-6,9,16H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide?
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 284.79 g/mol, XLogP of 3.07, 5 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-methoxyphenyl)propanamide is sourced from PubChem (CID 54928228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).