2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide

C22H27ClN2O3 — CID 133204186

IUPAC2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-2-21(28-20-9-7-19(23)8-10-20)22(26)24-15-17-3-5-18(6-4-17)16-25-11-13-27-14-12-25/h3-10,21H,2,11-16H2,1H3,(H,24,26)
InChIKeyZIEGDPMAVCXKIZ-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.65
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide

2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide (PubChem CID 133204186) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
PubChem CID133204186
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-2-21(28-20-9-7-19(23)8-10-20)22(26)24-15-17-3-5-18(6-4-17)16-25-11-13-27-14-12-25/h3-10,21H,2,11-16H2,1H3,(H,24,26)
InChIKeyZIEGDPMAVCXKIZ-UHFFFAOYSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
CID 27889691
(2S)-2-(4-methoxyphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015127
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
2-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 51327676
(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 99818249
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116
(2S)-2-(3,4-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015557
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide (CID 133204186) is 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide is CCC(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is ZIEGDPMAVCXKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-2-21(28-20-9-7-19(23)8-10-20)22(26)24-15-17-3-5-18(6-4-17)16-25-11-13-27-14-12-25/h3-10,21H,2,11-16H2,1H3,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 402.92 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 133204186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).