5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide

C24H35N3O3 — CID 3273528

IUPAC5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESCc1cccc(CN(Cc2ccc(C(=O)NCCCN3CCOCC3)o2)C(C)C)c1
InChIInChI=1S/C24H35N3O3/c1-19(2)27(17-21-7-4-6-20(3)16-21)18-22-8-9-23(30-22)24(28)25-10-5-11-26-12-14-29-15-13-26/h4,6-9,16,19H,5,10-15,17-18H2,1-3H3,(H,25,28)
InChIKeyZAKBWGLHXHOLME-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.45
Rot. Bonds10

About 5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide

5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (PubChem CID 3273528) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
PubChem CID3273528
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESCc1cccc(CN(Cc2ccc(C(=O)NCCCN3CCOCC3)o2)C(C)C)c1
InChIInChI=1S/C24H35N3O3/c1-19(2)27(17-21-7-4-6-20(3)16-21)18-22-8-9-23(30-22)24(28)25-10-5-11-26-12-14-29-15-13-26/h4,6-9,16,19H,5,10-15,17-18H2,1-3H3,(H,25,28)
InChIKeyZAKBWGLHXHOLME-UHFFFAOYSA-N
XLogP3.45
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680
2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 42852963
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19461255
5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19455019
N-(3-morpholin-4-ylpropyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047764
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 132657785
N-butyl-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 4107785
N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 3244186
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
N-(3-morpholin-4-ylpropyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 35993608
5-[[cyclohexyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 3353343
1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 110670134

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (CID 3273528) is 5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is Cc1cccc(CN(Cc2ccc(C(=O)NCCCN3CCOCC3)o2)C(C)C)c1.
What is the InChIKey of 5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The InChIKey is ZAKBWGLHXHOLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-19(2)27(17-21-7-4-6-20(3)16-21)18-22-8-9-23(30-22)24(28)25-10-5-11-26-12-14-29-15-13-26/h4,6-9,16,19H,5,10-15,17-18H2,1-3H3,(H,25,28).
What are the key properties of 5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 3273528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).