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

C21H27NO3 — CID 19191443

IUPACN-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
SMILESCCCc1ccc(OCCCC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C21H27NO3/c1-4-6-17-9-11-18(12-10-17)25-14-5-7-21(23)22-19-15-16(2)8-13-20(19)24-3/h8-13,15H,4-7,14H2,1-3H3,(H,22,23)
InChIKeyPPSXLRLXHKVLAP-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.75
Rot. Bonds9

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

N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide (PubChem CID 19191443) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
PubChem CID19191443
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
SMILESCCCc1ccc(OCCCC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C21H27NO3/c1-4-6-17-9-11-18(12-10-17)25-14-5-7-21(23)22-19-15-16(2)8-13-20(19)24-3/h8-13,15H,4-7,14H2,1-3H3,(H,22,23)
InChIKeyPPSXLRLXHKVLAP-UHFFFAOYSA-N
XLogP4.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.75
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

4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 2684775
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191445
N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
CID 19191483
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide (CID 19191443) is N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide is CCCc1ccc(OCCCC(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide?
The InChIKey is PPSXLRLXHKVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-6-17-9-11-18(12-10-17)25-14-5-7-21(23)22-19-15-16(2)8-13-20(19)24-3/h8-13,15H,4-7,14H2,1-3H3,(H,22,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide?
N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide is sourced from PubChem (CID 19191443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).