N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide

C14H20ClNO3 — CID 43040630

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
SMILESCOc1cc(Cl)c(NC(=O)CCC(C)C)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-9(2)5-6-14(17)16-11-8-13(19-4)12(18-3)7-10(11)15/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyRIPDCMQXLLTRAY-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.73
Rot. Bonds6

About N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide

N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide (PubChem CID 43040630) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
PubChem CID43040630
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
SMILESCOc1cc(Cl)c(NC(=O)CCC(C)C)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-9(2)5-6-14(17)16-11-8-13(19-4)12(18-3)7-10(11)15/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyRIPDCMQXLLTRAY-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

4,5-dimethoxy-N,N-dimethyl-2-(4-methylpentanoylamino)benzamide
CID 32511429
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
1-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-one
CID 43340681
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 82848785
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-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide (CID 43040630) is N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide is COc1cc(Cl)c(NC(=O)CCC(C)C)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide?
The InChIKey is RIPDCMQXLLTRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9(2)5-6-14(17)16-11-8-13(19-4)12(18-3)7-10(11)15/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide?
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide has a molecular weight of 285.77 g/mol, XLogP of 3.73, 6 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)-4-methylpentanamide is sourced from PubChem (CID 43040630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).