2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide

C21H33N3O3 — CID 75448405

IUPAC2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CC1CCCCC1O
InChIInChI=1S/C21H33N3O3/c1-16(23(2)15-17-5-3-4-6-20(17)25)21(26)22-18-7-9-19(10-8-18)24-11-13-27-14-12-24/h7-10,16-17,20,25H,3-6,11-15H2,1-2H3,(H,22,26)
InChIKeyNFOPZTMDPROIGN-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.33
Rot. Bonds6

About 2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide

2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 75448405) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID75448405
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CC1CCCCC1O
InChIInChI=1S/C21H33N3O3/c1-16(23(2)15-17-5-3-4-6-20(17)25)21(26)22-18-7-9-19(10-8-18)24-11-13-27-14-12-24/h7-10,16-17,20,25H,3-6,11-15H2,1-2H3,(H,22,26)
InChIKeyNFOPZTMDPROIGN-UHFFFAOYSA-N
XLogP2.33
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398054
2-acetamido-2-cyclopentyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 42924063
(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7928372
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 47076192
2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 94825706
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55869108
(2R)-N-cyclohexyl-N-ethyl-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 8592730
(2S)-N-cyclohexyl-N-ethyl-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 8592732

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 75448405) is 2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide is CC(C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)CC1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is NFOPZTMDPROIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16(23(2)15-17-5-3-4-6-20(17)25)21(26)22-18-7-9-19(10-8-18)24-11-13-27-14-12-24/h7-10,16-17,20,25H,3-6,11-15H2,1-2H3,(H,22,26).
What are the key properties of 2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 375.51 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 75448405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).