2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide

C16H19N3O2 — CID 6178020

IUPAC2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
SMILESCc1ccc(/C=N\NC(=O)C(C)Nc2ccccc2C)o1
InChIInChI=1S/C16H19N3O2/c1-11-6-4-5-7-15(11)18-13(3)16(20)19-17-10-14-9-8-12(2)21-14/h4-10,13,18H,1-3H3,(H,19,20)/b17-10-
InChIKeyVSRRETRSLGEDJP-YVLHZVERSA-N
MW285.35 g/mol
LogP2.85
Rot. Bonds5

About 2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide

2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide (PubChem CID 6178020) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
PubChem CID6178020
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
SMILESCc1ccc(/C=N\NC(=O)C(C)Nc2ccccc2C)o1
InChIInChI=1S/C16H19N3O2/c1-11-6-4-5-7-15(11)18-13(3)16(20)19-17-10-14-9-8-12(2)21-14/h4-10,13,18H,1-3H3,(H,19,20)/b17-10-
InChIKeyVSRRETRSLGEDJP-YVLHZVERSA-N
XLogP2.85
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.85
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

(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397742
(2S)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397743
(2S)-2-(4-chloroanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 5403140
2-(4-chloroanilino)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2863483
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
(2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide
CID 5403196
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)propanamide
CID 135606040
(2S)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylanilino)propanamide
CID 136851955
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2-methylanilino)propanamide
CID 5056114
2-(2-methylanilino)propanehydrazide
CID 23833506
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6898812

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide?
The IUPAC name of 2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide (CID 6178020) is 2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide?
The canonical SMILES for 2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide is Cc1ccc(/C=N\NC(=O)C(C)Nc2ccccc2C)o1.
What is the InChIKey of 2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide?
The InChIKey is VSRRETRSLGEDJP-YVLHZVERSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-6-4-5-7-15(11)18-13(3)16(20)19-17-10-14-9-8-12(2)21-14/h4-10,13,18H,1-3H3,(H,19,20)/b17-10-.
What are the key properties of 2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide?
2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide is sourced from PubChem (CID 6178020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).