3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

C15H23ClN2O3 — CID 60850759

IUPAC3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNC(C)(C)C)c(OC)cc1Cl
InChIInChI=1S/C15H23ClN2O3/c1-15(2,3)17-7-6-14(19)18-11-9-12(20-4)10(16)8-13(11)21-5/h8-9,17H,6-7H2,1-5H3,(H,18,19)
InChIKeyCPQQCWQGJLCYLZ-UHFFFAOYSA-N
MW314.81 g/mol
LogP3.07
Rot. Bonds6

About 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (PubChem CID 60850759) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
PubChem CID60850759
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNC(C)(C)C)c(OC)cc1Cl
InChIInChI=1S/C15H23ClN2O3/c1-15(2,3)17-7-6-14(19)18-11-9-12(20-4)10(16)8-13(11)21-5/h8-9,17H,6-7H2,1-5H3,(H,18,19)
InChIKeyCPQQCWQGJLCYLZ-UHFFFAOYSA-N
XLogP3.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
3-(tert-butylamino)-N-(2-methoxy-4-methylphenyl)propanamide
CID 54863187
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 109039398
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethylanilino)propanamide
CID 109036248
N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108506924
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375
3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927791
5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 82848785
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
CID 55572968

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (CID 60850759) is 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)CCNC(C)(C)C)c(OC)cc1Cl.
What is the InChIKey of 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The InChIKey is CPQQCWQGJLCYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-15(2,3)17-7-6-14(19)18-11-9-12(20-4)10(16)8-13(11)21-5/h8-9,17H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide has a molecular weight of 314.81 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 60850759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).