N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide

C26H36N2O3 — CID 56501893

IUPACN-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
SMILESCc1cccc(OCCCCC(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)c1
InChIInChI=1S/C26H36N2O3/c1-22-9-8-12-25(19-22)31-16-7-6-13-26(29)28(21-24-10-4-3-5-11-24)23(2)20-27-14-17-30-18-15-27/h3-5,8-12,19,23H,6-7,13-18,20-21H2,1-2H3
InChIKeyVLLDWSGNLLEPMU-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.29
Rot. Bonds11

About N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide

N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide (PubChem CID 56501893) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound NameN-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
PubChem CID56501893
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
SMILESCc1cccc(OCCCCC(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)c1
InChIInChI=1S/C26H36N2O3/c1-22-9-8-12-25(19-22)31-16-7-6-13-26(29)28(21-24-10-4-3-5-11-24)23(2)20-27-14-17-30-18-15-27/h3-5,8-12,19,23H,6-7,13-18,20-21H2,1-2H3
InChIKeyVLLDWSGNLLEPMU-UHFFFAOYSA-N
XLogP4.29
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56502325
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
2-[4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56500698
N-[4-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 56500583
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56500451
2-(4-aminophenyl)-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)acetamide;dihydrochloride
CID 119877064
N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56500316
N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396
N-benzyl-2-[(2-chlorophenyl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56501629

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide?
The IUPAC name of N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide (CID 56501893) is N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide.
What is the SMILES notation for N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide?
The canonical SMILES for N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide is Cc1cccc(OCCCCC(=O)N(Cc2ccccc2)C(C)CN2CCOCC2)c1.
What is the InChIKey of N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide?
The InChIKey is VLLDWSGNLLEPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-22-9-8-12-25(19-22)31-16-7-6-13-26(29)28(21-24-10-4-3-5-11-24)23(2)20-27-14-17-30-18-15-27/h3-5,8-12,19,23H,6-7,13-18,20-21H2,1-2H3.
What are the key properties of N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide?
N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide has a molecular weight of 424.59 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-methylphenoxy)-N-(1-morpholin-4-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 56501893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).