N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide

C13H18ClNO3 — CID 129040736

IUPACN-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(C)(C)OC
InChIInChI=1S/C13H18ClNO3/c1-13(2,18-4)8-12(16)15-10-7-9(14)5-6-11(10)17-3/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyRLEULSHLYAENTC-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.10
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide

N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide (PubChem CID 129040736) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
PubChem CID129040736
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(C)(C)OC
InChIInChI=1S/C13H18ClNO3/c1-13(2,18-4)8-12(16)15-10-7-9(14)5-6-11(10)17-3/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyRLEULSHLYAENTC-UHFFFAOYSA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 103020720
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid
CID 129040731
4-chloro-2-[(3-methoxy-3-methylbutanoyl)amino]benzoic acid
CID 103018039
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide (CID 129040736) is N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide is COc1ccc(Cl)cc1NC(=O)CC(C)(C)OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide?
The InChIKey is RLEULSHLYAENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-13(2,18-4)8-12(16)15-10-7-9(14)5-6-11(10)17-3/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide?
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide has a molecular weight of 271.74 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 129040736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).