2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide

C18H22N4O4 — CID 56502731

IUPAC2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
SMILESCc1ccc(NCC(=O)NNC(=O)CNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C18H22N4O4/c1-11-4-6-14(7-5-11)19-9-16(23)21-22-17(24)10-20-18(25)15-8-12(2)26-13(15)3/h4-8,19H,9-10H2,1-3H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyKSWYCXQAGIMSSQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.19
Rot. Bonds6

About 2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide (PubChem CID 56502731) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
PubChem CID56502731
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
SMILESCc1ccc(NCC(=O)NNC(=O)CNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C18H22N4O4/c1-11-4-6-14(7-5-11)19-9-16(23)21-22-17(24)10-20-18(25)15-8-12(2)26-13(15)3/h4-8,19H,9-10H2,1-3H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyKSWYCXQAGIMSSQ-UHFFFAOYSA-N
XLogP1.19
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 55876090
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 86822231
2,5-dimethyl-N-[2-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-2-oxoethyl]furan-3-carboxamide
CID 55888356
N-[2-[(2-hydroxy-2-phenylpropyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111335106
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 27762316
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55883820
2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
CID 86822812
2,5-dimethyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]furan-3-carboxamide
CID 48500676
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
CID 61127079
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55914707
N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110004082
2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55890647

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide (CID 56502731) is 2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide is Cc1ccc(NCC(=O)NNC(=O)CNC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of 2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is KSWYCXQAGIMSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11-4-6-14(7-5-11)19-9-16(23)21-22-17(24)10-20-18(25)15-8-12(2)26-13(15)3/h4-8,19H,9-10H2,1-3H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 56502731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).