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

C22H28N2O3 — CID 55900210

IUPAC4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C22H28N2O3/c1-18-7-2-5-10-21(18)27-14-6-11-22(25)23-20-9-4-3-8-19(20)17-24-12-15-26-16-13-24/h2-5,7-10H,6,11-17H2,1H3,(H,23,25)
InChIKeyNACDEEHCLBMUBQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.62
Rot. Bonds8

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

4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide (PubChem CID 55900210) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide
PubChem CID55900210
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C22H28N2O3/c1-18-7-2-5-10-21(18)27-14-6-11-22(25)23-20-9-4-3-8-19(20)17-24-12-15-26-16-13-24/h2-5,7-10H,6,11-17H2,1H3,(H,23,25)
InChIKeyNACDEEHCLBMUBQ-UHFFFAOYSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[2-(morpholin-4-ylmethyl)anilino]-5-oxopentanoate
CID 131972980
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
2-methyl-1-[2-(2-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374097
2-(2,4-dichlorophenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
CID 55899065
2-(2,3-dimethylphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887006
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide (CID 55900210) is 4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide is Cc1ccccc1OCCCC(=O)Nc1ccccc1CN1CCOCC1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide?
The InChIKey is NACDEEHCLBMUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-18-7-2-5-10-21(18)27-14-6-11-22(25)23-20-9-4-3-8-19(20)17-24-12-15-26-16-13-24/h2-5,7-10H,6,11-17H2,1H3,(H,23,25).
What are the key properties of 4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide?
4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide has a molecular weight of 368.48 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[2-(morpholin-4-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 55900210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).