3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide

C19H26N2O4 — CID 4780000

IUPAC3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
SMILESCc1ccc(CCC(=O)NCCCNC(=O)CCc2ccc(C)o2)o1
InChIInChI=1S/C19H26N2O4/c1-14-4-6-16(24-14)8-10-18(22)20-12-3-13-21-19(23)11-9-17-7-5-15(2)25-17/h4-7H,3,8-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBISBFVUINMTEDT-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.68
Rot. Bonds10

About 3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide

3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide (PubChem CID 4780000) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
PubChem CID4780000
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
SMILESCc1ccc(CCC(=O)NCCCNC(=O)CCc2ccc(C)o2)o1
InChIInChI=1S/C19H26N2O4/c1-14-4-6-16(24-14)8-10-18(22)20-12-3-13-21-19(23)11-9-17-7-5-15(2)25-17/h4-7H,3,8-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBISBFVUINMTEDT-UHFFFAOYSA-N
XLogP2.68
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115162657
N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
N-[(1-hydroxycyclohexyl)methyl]-3-(5-methylfuran-2-yl)propanamide
CID 111560563
4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63308436
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide
CID 129002323
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3-(5-methylfuran-2-yl)propanamide
CID 4893594
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate
CID 62525074
2-amino-4-[2-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181165
3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819
5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid
CID 115219138
N',N'-dimethyl-5-(5-methylfuran-2-yl)pentanehydrazide
CID 116847821

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide (CID 4780000) is 3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide is Cc1ccc(CCC(=O)NCCCNC(=O)CCc2ccc(C)o2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide?
The InChIKey is BISBFVUINMTEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-4-6-16(24-14)8-10-18(22)20-12-3-13-21-19(23)11-9-17-7-5-15(2)25-17/h4-7H,3,8-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide?
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide is sourced from PubChem (CID 4780000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).