2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide

C23H29ClN2O3 — CID 132665241

IUPAC2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C23H29ClN2O3/c1-4-22(29-20-9-10-21(24)16(2)15-20)23(27)25-17-5-7-18(8-6-17)28-19-11-13-26(3)14-12-19/h5-10,15,19,22H,4,11-14H2,1-3H3,(H,25,27)
InChIKeyUXOOPVZRGCHCFE-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.92
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide

2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide (PubChem CID 132665241) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
PubChem CID132665241
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C23H29ClN2O3/c1-4-22(29-20-9-10-21(24)16(2)15-20)23(27)25-17-5-7-18(8-6-17)28-19-11-13-26(3)14-12-19/h5-10,15,19,22H,4,11-14H2,1-3H3,(H,25,27)
InChIKeyUXOOPVZRGCHCFE-UHFFFAOYSA-N
XLogP4.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99133336
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99133228
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166916
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
4-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzamide
CID 17217156
N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132655055
2-(4-chloro-3-methylphenoxy)-N-[4-(cyanomethyl)phenyl]butanamide
CID 132652405
(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131284
(2S)-2-(3,4-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99131283
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
N-(4-cyclopentyloxyphenyl)-2-phenoxybutanamide
CID 132651998

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide (CID 132665241) is 2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide?
The InChIKey is UXOOPVZRGCHCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-4-22(29-20-9-10-21(24)16(2)15-20)23(27)25-17-5-7-18(8-6-17)28-19-11-13-26(3)14-12-19/h5-10,15,19,22H,4,11-14H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide?
2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide has a molecular weight of 416.95 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide is sourced from PubChem (CID 132665241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).