4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide

C22H29N3O2 — CID 110304070

IUPAC4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18-7-9-19(10-8-18)4-2-6-22(26)24-17-21(20-5-3-11-23-16-20)25-12-14-27-15-13-25/h3,5,7-11,16,21H,2,4,6,12-15,17H2,1H3,(H,24,26)
InChIKeyFMGWKZSVLMNTKC-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.90
Rot. Bonds8

About 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide

4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide (PubChem CID 110304070) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
PubChem CID110304070
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(c2cccnc2)N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-18-7-9-19(10-8-18)4-2-6-22(26)24-17-21(20-5-3-11-23-16-20)25-12-14-27-15-13-25/h3,5,7-11,16,21H,2,4,6,12-15,17H2,1H3,(H,24,26)
InChIKeyFMGWKZSVLMNTKC-UHFFFAOYSA-N
XLogP2.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110622335
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 28983026
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-pyridin-3-ylpropanamide
CID 99927332
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506422
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
CID 99950839
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 131895533
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-4-(4-fluorophenyl)butanamide
CID 110304177

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide (CID 110304070) is 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide is Cc1ccc(CCCC(=O)NCC(c2cccnc2)N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide?
The InChIKey is FMGWKZSVLMNTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18-7-9-19(10-8-18)4-2-6-22(26)24-17-21(20-5-3-11-23-16-20)25-12-14-27-15-13-25/h3,5,7-11,16,21H,2,4,6,12-15,17H2,1H3,(H,24,26).
What are the key properties of 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide?
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide has a molecular weight of 367.49 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide is sourced from PubChem (CID 110304070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).