N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide

C22H27ClN2O4 — CID 100651350

IUPACN-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)cc1
InChIInChI=1S/C22H27ClN2O4/c1-27-19-5-7-20(8-6-19)29-12-2-3-22(26)24-18-4-9-21(23)17(15-18)16-25-10-13-28-14-11-25/h4-9,15H,2-3,10-14,16H2,1H3,(H,24,26)
InChIKeyUMEYRMMTSAPOAB-UHFFFAOYSA-N
MW418.92 g/mol
LogP3.98
Rot. Bonds9

About N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide

N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide (PubChem CID 100651350) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
PubChem CID100651350
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC NameN-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)cc1
InChIInChI=1S/C22H27ClN2O4/c1-27-19-5-7-20(8-6-19)29-12-2-3-22(26)24-18-4-9-21(23)17(15-18)16-25-10-13-28-14-11-25/h4-9,15H,2-3,10-14,16H2,1H3,(H,24,26)
InChIKeyUMEYRMMTSAPOAB-UHFFFAOYSA-N
XLogP3.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27890430
4-(4-tert-butylphenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
CID 16612050
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-phenoxyacetamide
CID 110416980
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
CID 110609625
4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 21367956
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
CID 84600438
4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 19173834
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
CID 108730937
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide (CID 100651350) is N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide is COc1ccc(OCCCC(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide?
The InChIKey is UMEYRMMTSAPOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-27-19-5-7-20(8-6-19)29-12-2-3-22(26)24-18-4-9-21(23)17(15-18)16-25-10-13-28-14-11-25/h4-9,15H,2-3,10-14,16H2,1H3,(H,24,26).
What are the key properties of N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide?
N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide has a molecular weight of 418.92 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 100651350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).