2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide

C24H33N3O3 — CID 55869108

IUPAC2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccccc1OCCCN(C)C(C)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H33N3O3/c1-19-7-4-5-8-23(19)30-16-6-13-26(3)20(2)24(28)25-21-9-11-22(12-10-21)27-14-17-29-18-15-27/h4-5,7-12,20H,6,13-18H2,1-3H3,(H,25,28)
InChIKeyJLFTXWLZCSZAMK-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.56
Rot. Bonds9

About 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide

2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 55869108) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID55869108
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccccc1OCCCN(C)C(C)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H33N3O3/c1-19-7-4-5-8-23(19)30-16-6-13-26(3)20(2)24(28)25-21-9-11-22(12-10-21)27-14-17-29-18-15-27/h4-5,7-12,20H,6,13-18H2,1-3H3,(H,25,28)
InChIKeyJLFTXWLZCSZAMK-UHFFFAOYSA-N
XLogP3.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
(2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 97236237
N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529
N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
CID 55869495
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
(2R)-2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 40796015
2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 75448405
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 47076192
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925651

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 55869108) is 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide is Cc1ccccc1OCCCN(C)C(C)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is JLFTXWLZCSZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-19-7-4-5-8-23(19)30-16-6-13-26(3)20(2)24(28)25-21-9-11-22(12-10-21)27-14-17-29-18-15-27/h4-5,7-12,20H,6,13-18H2,1-3H3,(H,25,28).
What are the key properties of 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 411.55 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 55869108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).