4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide

C24H25ClN2O2 — CID 55768262

IUPAC4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)N(C)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C24H25ClN2O2/c1-18-17-20(25)13-14-22(18)29-16-8-12-23(28)27(2)24(19-9-4-3-5-10-19)21-11-6-7-15-26-21/h3-7,9-11,13-15,17,24H,8,12,16H2,1-2H3
InChIKeyKOLMKEOSSRJMRS-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.45
Rot. Bonds8

About 4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide

4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide (PubChem CID 55768262) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
PubChem CID55768262
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)N(C)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C24H25ClN2O2/c1-18-17-20(25)13-14-22(18)29-16-8-12-23(28)27(2)24(19-9-4-3-5-10-19)21-11-6-7-15-26-21/h3-7,9-11,13-15,17,24H,8,12,16H2,1-2H3
InChIKeyKOLMKEOSSRJMRS-UHFFFAOYSA-N
XLogP5.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55880579
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
CID 55637724
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide
CID 95979967
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
N-methyl-2-(3-methyl-4-propan-2-ylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767815
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
3,5-dichloro-N-methyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide
CID 55967482
1-(4-chloro-2-methylphenoxy)-4-methylpentan-3-one
CID 92931875
N-methyl-2-(2-methylindol-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55767403
2-(dimethylamino)ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 169177778

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide (CID 55768262) is 4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide is Cc1cc(Cl)ccc1OCCCC(=O)N(C)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide?
The InChIKey is KOLMKEOSSRJMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-18-17-20(25)13-14-22(18)29-16-8-12-23(28)27(2)24(19-9-4-3-5-10-19)21-11-6-7-15-26-21/h3-7,9-11,13-15,17,24H,8,12,16H2,1-2H3.
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide?
4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide has a molecular weight of 408.93 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide is sourced from PubChem (CID 55768262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).