N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide

C26H36N2O3 — CID 3882073

IUPACN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide
SMILESCCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C1CC1
InChIInChI=1S/C26H36N2O3/c1-3-4-5-6-10-13-25(29)28(23-15-16-23)20-26(30)27(18-22-11-8-7-9-12-22)19-24-17-14-21(2)31-24/h7-9,11-12,14,17,23H,3-6,10,13,15-16,18-20H2,1-2H3
InChIKeyGGPAULFAGAGJHT-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.47
Rot. Bonds13

About N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide (PubChem CID 3882073) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide.

Molecular Properties

Compound NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide
PubChem CID3882073
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide
SMILESCCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C1CC1
InChIInChI=1S/C26H36N2O3/c1-3-4-5-6-10-13-25(29)28(23-15-16-23)20-26(30)27(18-22-11-8-7-9-12-22)19-24-17-14-21(2)31-24/h7-9,11-12,14,17,23H,3-6,10,13,15-16,18-20H2,1-2H3
InChIKeyGGPAULFAGAGJHT-UHFFFAOYSA-N
XLogP5.47
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-butoxy-N-cyclopropylbenzamide
CID 4274304
(2S)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-ethylhexanamide
CID 7399320
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylpentanamide
CID 3955195
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)nonanamide
CID 42773042
N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3884188
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropylcyclobutanecarboxamide
CID 1058915
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 5041484
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-dimethoxybenzamide
CID 1058909
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 5016754
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylheptanamide
CID 4118080
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4252253
methyl 5-[[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-cyclopropylamino]-5-oxopentanoate
CID 4209299

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide?
The IUPAC name of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide (CID 3882073) is N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide.
What is the SMILES notation for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide?
The canonical SMILES for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide is CCCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C1CC1.
What is the InChIKey of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide?
The InChIKey is GGPAULFAGAGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-3-4-5-6-10-13-25(29)28(23-15-16-23)20-26(30)27(18-22-11-8-7-9-12-22)19-24-17-14-21(2)31-24/h7-9,11-12,14,17,23H,3-6,10,13,15-16,18-20H2,1-2H3.
What are the key properties of N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide?
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide has a molecular weight of 424.59 g/mol, XLogP of 5.47, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide is sourced from PubChem (CID 3882073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).