2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

C22H28N2O3 — CID 53282901

IUPAC2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-16-4-5-17(2)21(14-16)27-18(3)22(25)23-15-19-6-8-20(9-7-19)24-10-12-26-13-11-24/h4-9,14,18H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyGGDUHMBTUVBSQO-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.22
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 53282901) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID53282901
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-16-4-5-17(2)21(14-16)27-18(3)22(25)23-15-19-6-8-20(9-7-19)24-10-12-26-13-11-24/h4-9,14,18H,10-13,15H2,1-3H3,(H,23,25)
InChIKeyGGDUHMBTUVBSQO-UHFFFAOYSA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 100600862
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
(2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 99133351
(2S)-2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 92646509
N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235388
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 92685617
N-[(4-morpholin-4-ylphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282855
2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 132666019
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide
CID 133203327
(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 99131490

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (CID 53282901) is 2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is Cc1ccc(C)c(OC(C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is GGDUHMBTUVBSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-4-5-17(2)21(14-16)27-18(3)22(25)23-15-19-6-8-20(9-7-19)24-10-12-26-13-11-24/h4-9,14,18H,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 53282901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).