N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide

C16H18N2O3 — CID 54821313

IUPACN-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-9-20-14-7-5-13(6-8-14)17-12-16(19)18-11-15-4-3-10-21-15/h2-8,10,17H,1,9,11-12H2,(H,18,19)
InChIKeySXZUOWLKTDLDMA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.57
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide

N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide (PubChem CID 54821313) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide
PubChem CID54821313
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-9-20-14-7-5-13(6-8-14)17-12-16(19)18-11-15-4-3-10-21-15/h2-8,10,17H,1,9,11-12H2,(H,18,19)
InChIKeySXZUOWLKTDLDMA-UHFFFAOYSA-N
XLogP2.57
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824255
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
N-methyl-2-(4-prop-2-enoxyanilino)acetamide
CID 54821477
2-(3-butoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54824747
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824228
2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666642
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide (CID 54821313) is N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide is C=CCOc1ccc(NCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide?
The InChIKey is SXZUOWLKTDLDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-9-20-14-7-5-13(6-8-14)17-12-16(19)18-11-15-4-3-10-21-15/h2-8,10,17H,1,9,11-12H2,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide?
N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54821313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).