N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide

C22H29N3O2 — CID 109037056

IUPACN-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
SMILESCc1cc(C)c(NCCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-16-14-17(2)22(18(3)15-16)23-9-8-21(26)24-19-6-4-5-7-20(19)25-10-12-27-13-11-25/h4-7,14-15,23H,8-13H2,1-3H3,(H,24,26)
InChIKeyILBLKXDKQDCNSH-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.89
Rot. Bonds6

About N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide

N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide (PubChem CID 109037056) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
PubChem CID109037056
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
SMILESCc1cc(C)c(NCCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-16-14-17(2)22(18(3)15-16)23-9-8-21(26)24-19-6-4-5-7-20(19)25-10-12-27-13-11-25/h4-7,14-15,23H,8-13H2,1-3H3,(H,24,26)
InChIKeyILBLKXDKQDCNSH-UHFFFAOYSA-N
XLogP3.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2,4,6-trimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 113170062
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109037337
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
3-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109039568
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide (CID 109037056) is N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide is Cc1cc(C)c(NCCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide?
The InChIKey is ILBLKXDKQDCNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-14-17(2)22(18(3)15-16)23-9-8-21(26)24-19-6-4-5-7-20(19)25-10-12-27-13-11-25/h4-7,14-15,23H,8-13H2,1-3H3,(H,24,26).
What are the key properties of N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide?
N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide is sourced from PubChem (CID 109037056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).