N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide

C14H20ClNO3 — CID 18139937

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1cc(Cl)c(NC(=O)CC(C)(C)C)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-14(2,3)8-13(17)16-10-7-12(19-5)11(18-4)6-9(10)15/h6-7H,8H2,1-5H3,(H,16,17)
InChIKeyQTFQQGBWNUGQSW-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.73
Rot. Bonds4

About N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide

N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide (PubChem CID 18139937) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
PubChem CID18139937
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1cc(Cl)c(NC(=O)CC(C)(C)C)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-14(2,3)8-13(17)16-10-7-12(19-5)11(18-4)6-9(10)15/h6-7H,8H2,1-5H3,(H,16,17)
InChIKeyQTFQQGBWNUGQSW-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3,3-dimethylbutanoylamino)-4,5-dimethoxybenzoate
CID 2104071
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
CID 43040630
N-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836762
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281493
N-[2-chloro-5-methoxy-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 23513212
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,3-dimethylbutanamide
CID 39820085
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
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CID 17461303

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide (CID 18139937) is N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide is COc1cc(Cl)c(NC(=O)CC(C)(C)C)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is QTFQQGBWNUGQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-14(2,3)8-13(17)16-10-7-12(19-5)11(18-4)6-9(10)15/h6-7H,8H2,1-5H3,(H,16,17).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide?
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide has a molecular weight of 285.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 18139937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).