N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide

C21H26ClNO3 — CID 19191445

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
SMILESCCCc1ccc(OCCCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C21H26ClNO3/c1-4-6-16-8-10-17(11-9-16)26-12-5-7-21(24)23-19-13-15(2)18(22)14-20(19)25-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,24)
InChIKeyMJEBUPXRNPEIBV-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.41
Rot. Bonds9

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide (PubChem CID 19191445) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
PubChem CID19191445
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
SMILESCCCc1ccc(OCCCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C21H26ClNO3/c1-4-6-16-8-10-17(11-9-16)26-12-5-7-21(24)23-19-13-15(2)18(22)14-20(19)25-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,24)
InChIKeyMJEBUPXRNPEIBV-UHFFFAOYSA-N
XLogP5.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-propylphenoxy)acetamide
CID 19174228
N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191443
N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
CID 19191483
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55914142
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840691
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
CID 55572968

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide (CID 19191445) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide is CCCc1ccc(OCCCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide?
The InChIKey is MJEBUPXRNPEIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-4-6-16-8-10-17(11-9-16)26-12-5-7-21(24)23-19-13-15(2)18(22)14-20(19)25-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide has a molecular weight of 375.90 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide is sourced from PubChem (CID 19191445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).