N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide

C16H17N3O4 — CID 5455528

IUPACN-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccoc1C)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H17N3O4/c1-10(18-19-16(21)13-7-8-22-11(13)2)12-5-3-4-6-14(12)23-9-15(17)20/h3-8H,9H2,1-2H3,(H2,17,20)(H,19,21)/b18-10+
InChIKeyQTCJNCHULMBLAD-VCHYOVAHSA-N
MW315.33 g/mol
LogP1.61
Rot. Bonds6

About N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 5455528) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
PubChem CID5455528
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N\NC(=O)c1ccoc1C)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H17N3O4/c1-10(18-19-16(21)13-7-8-22-11(13)2)12-5-3-4-6-14(12)23-9-15(17)20/h3-8H,9H2,1-2H3,(H2,17,20)(H,19,21)/b18-10+
InChIKeyQTCJNCHULMBLAD-VCHYOVAHSA-N
XLogP1.61
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide
CID 6302652
N-[1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 842406
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457
2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 7289797
N-[(Z)-1-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 6005646
N-[1-(furan-2-yl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928992
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 137031048
N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide
CID 135576103
2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359525
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide (CID 5455528) is N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide is C/C(=N\NC(=O)c1ccoc1C)c1ccccc1OCC(N)=O.
What is the InChIKey of N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is QTCJNCHULMBLAD-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10(18-19-16(21)13-7-8-22-11(13)2)12-5-3-4-6-14(12)23-9-15(17)20/h3-8H,9H2,1-2H3,(H2,17,20)(H,19,21)/b18-10+.
What are the key properties of N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 5455528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).