[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone

C21H26N2O2 — CID 47622276

IUPAC[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(CNc2cccc(C(=O)N3CCOCC3)c2C)c1
InChIInChI=1S/C21H26N2O2/c1-15-7-8-16(2)18(13-15)14-22-20-6-4-5-19(17(20)3)21(24)23-9-11-25-12-10-23/h4-8,13,22H,9-12,14H2,1-3H3
InChIKeyDKPWVAJTZUNADX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.70
Rot. Bonds4

About [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone

[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone (PubChem CID 47622276) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
PubChem CID47622276
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(CNc2cccc(C(=O)N3CCOCC3)c2C)c1
InChIInChI=1S/C21H26N2O2/c1-15-7-8-16(2)18(13-15)14-22-20-6-4-5-19(17(20)3)21(24)23-9-11-25-12-10-23/h4-8,13,22H,9-12,14H2,1-3H3
InChIKeyDKPWVAJTZUNADX-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 60536898
2,4-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 31813143
1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569430
1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569614
[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone
CID 13176465
[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone
CID 110006598
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304348
4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 136578771
2-cyclopropyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]propanamide
CID 126786282
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide
CID 48501237

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone (CID 47622276) is [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone is Cc1ccc(C)c(CNc2cccc(C(=O)N3CCOCC3)c2C)c1.
What is the InChIKey of [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone?
The InChIKey is DKPWVAJTZUNADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-7-8-16(2)18(13-15)14-22-20-6-4-5-19(17(20)3)21(24)23-9-11-25-12-10-23/h4-8,13,22H,9-12,14H2,1-3H3.
What are the key properties of [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone?
[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone has a molecular weight of 338.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 47622276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).