2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide

C14H16N2O3 — CID 842534

IUPAC2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide
SMILESCCC(=NNC(=O)c1ccoc1C)c1ccc(C)o1
InChIInChI=1S/C14H16N2O3/c1-4-12(13-6-5-9(2)19-13)15-16-14(17)11-7-8-18-10(11)3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyYWMGQDPNMYSSLK-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.03
Rot. Bonds4

About 2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide

2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide (PubChem CID 842534) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide
PubChem CID842534
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide
SMILESCCC(=NNC(=O)c1ccoc1C)c1ccc(C)o1
InChIInChI=1S/C14H16N2O3/c1-4-12(13-6-5-9(2)19-13)15-16-14(17)11-7-8-18-10(11)3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyYWMGQDPNMYSSLK-UHFFFAOYSA-N
XLogP3.03
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxyphenyl)propylideneamino]-5-methylfuran-2-carboxamide
CID 868759
N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide
CID 135576103
2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide
CID 6517419
2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide
CID 5016586
N-(fluoren-9-ylideneamino)-2-methylfuran-3-carboxamide
CID 801146
2-methyl-N-[(E)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]furan-3-carboxamide
CID 5343180
2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359525
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide
CID 30137081
N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5455528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide (CID 842534) is 2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide is CCC(=NNC(=O)c1ccoc1C)c1ccc(C)o1.
What is the InChIKey of 2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide?
The InChIKey is YWMGQDPNMYSSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-12(13-6-5-9(2)19-13)15-16-14(17)11-7-8-18-10(11)3/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide?
2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methylfuran-2-yl)propylideneamino]furan-3-carboxamide is sourced from PubChem (CID 842534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).