N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide

C22H28N2O3 — CID 56921966

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O3/c1-17-3-8-21(15-18(17)2)27-12-9-23-22(25)20-6-4-19(5-7-20)16-24-10-13-26-14-11-24/h3-8,15H,9-14,16H2,1-2H3,(H,23,25)
InChIKeyXXEKUXBHXKXSBG-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide

N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 56921966) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID56921966
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1C
InChIInChI=1S/C22H28N2O3/c1-17-3-8-21(15-18(17)2)27-12-9-23-22(25)20-6-4-19(5-7-20)16-24-10-13-26-14-11-24/h3-8,15H,9-14,16H2,1-2H3,(H,23,25)
InChIKeyXXEKUXBHXKXSBG-UHFFFAOYSA-N
XLogP2.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.94
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

3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989
4-tert-butyl-N-[2-(3,4-dimethylphenoxy)ethyl]benzamide
CID 2225637
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
1-[[4-[(3,4-dimethylphenoxy)methyl]benzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 19581697
N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46413657
N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
CID 70704015
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 78876482
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide (CID 56921966) is N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide is Cc1ccc(OCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is XXEKUXBHXKXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-3-8-21(15-18(17)2)27-12-9-23-22(25)20-6-4-19(5-7-20)16-24-10-13-26-14-11-24/h3-8,15H,9-14,16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 56921966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).