N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide

C16H17N3O2 — CID 6834782

IUPACN-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)NN=CC=Cc2ccco2)c1
InChIInChI=1S/C16H17N3O2/c1-13-5-2-6-14(11-13)17-12-16(20)19-18-9-3-7-15-8-4-10-21-15/h2-11,17H,12H2,1H3,(H,19,20)
InChIKeyZPHNDLASHFMUKZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.82
Rot. Bonds6

About N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide

N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide (PubChem CID 6834782) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
PubChem CID6834782
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)NN=CC=Cc2ccco2)c1
InChIInChI=1S/C16H17N3O2/c1-13-5-2-6-14(11-13)17-12-16(20)19-18-9-3-7-15-8-4-10-21-15/h2-11,17H,12H2,1H3,(H,19,20)
InChIKeyZPHNDLASHFMUKZ-UHFFFAOYSA-N
XLogP2.82
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
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

2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5426354
2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6039229
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
CID 4027245
2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404211
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
CID 5369634
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6808432
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 129432020
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide
CID 3609219
N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3765946
N-[(E)-(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 25251521

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide (CID 6834782) is N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide is Cc1cccc(NCC(=O)NN=CC=Cc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide?
The InChIKey is ZPHNDLASHFMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-13-5-2-6-14(11-13)17-12-16(20)19-18-9-3-7-15-8-4-10-21-15/h2-11,17H,12H2,1H3,(H,19,20).
What are the key properties of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide?
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 6834782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).