3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide

C15H18N2O4 — CID 651138

IUPAC3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)c1occc1C
InChIInChI=1S/C15H18N2O4/c1-10-4-8-20-12(10)14(18)16-6-3-7-17-15(19)13-11(2)5-9-21-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPNZCSBXDNIOCSW-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.04
Rot. Bonds6

About 3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide

3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide (PubChem CID 651138) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide
PubChem CID651138
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)c1occc1C
InChIInChI=1S/C15H18N2O4/c1-10-4-8-20-12(10)14(18)16-6-3-7-17-15(19)13-11(2)5-9-21-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPNZCSBXDNIOCSW-UHFFFAOYSA-N
XLogP2.04
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide (CID 651138) is 3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCCCNC(=O)c1occc1C.
What is the InChIKey of 3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide?
The InChIKey is PNZCSBXDNIOCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-4-8-20-12(10)14(18)16-6-3-7-17-15(19)13-11(2)5-9-21-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide?
3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]furan-2-carboxamide is sourced from PubChem (CID 651138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).