4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide

C25H33ClN2O5 — CID 46448746

IUPAC4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
SMILESCOc1ccc(C(CNC(=O)CCCOc2ccc(Cl)c(C)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C25H33ClN2O5/c1-18-15-20(7-8-21(18)26)33-12-4-5-25(29)27-17-22(28-10-13-32-14-11-28)19-6-9-23(30-2)24(16-19)31-3/h6-9,15-16,22H,4-5,10-14,17H2,1-3H3,(H,27,29)
InChIKeyOIMCOUHGGVPGNK-UHFFFAOYSA-N
MW477.00 g/mol
LogP4.01
Rot. Bonds11

About 4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide

4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide (PubChem CID 46448746) has the molecular formula C25H33ClN2O5 and a molecular weight of 477.00 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
PubChem CID46448746
Molecular FormulaC25H33ClN2O5
Molecular Weight477.00 g/mol
Exact Mass476.21
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
SMILESCOc1ccc(C(CNC(=O)CCCOc2ccc(Cl)c(C)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C25H33ClN2O5/c1-18-15-20(7-8-21(18)26)33-12-4-5-25(29)27-17-22(28-10-13-32-14-11-28)19-6-9-23(30-2)24(16-19)31-3/h6-9,15-16,22H,4-5,10-14,17H2,1-3H3,(H,27,29)
InChIKeyOIMCOUHGGVPGNK-UHFFFAOYSA-N
XLogP4.01
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.00
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 46472197
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
4-chloro-N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 43019504
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 24647066
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24646941
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46525247
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide (CID 46448746) is 4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide is COc1ccc(C(CNC(=O)CCCOc2ccc(Cl)c(C)c2)N2CCOCC2)cc1OC.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
The InChIKey is OIMCOUHGGVPGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O5/c1-18-15-20(7-8-21(18)26)33-12-4-5-25(29)27-17-22(28-10-13-32-14-11-28)19-6-9-23(30-2)24(16-19)31-3/h6-9,15-16,22H,4-5,10-14,17H2,1-3H3,(H,27,29).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide?
4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide has a molecular weight of 477.00 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide is sourced from PubChem (CID 46448746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).