4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide

C20H23N3O3 — CID 4510231

IUPAC4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)o1
InChIInChI=1S/C20H23N3O3/c1-14-7-12-18(26-14)13-21-23-20(25)16-8-10-17(11-9-16)22-19(24)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,22,24)(H,23,25)
InChIKeyBGYYRTBKJJFMST-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.87
Rot. Bonds5

About 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide

4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 4510231) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID4510231
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)o1
InChIInChI=1S/C20H23N3O3/c1-14-7-12-18(26-14)13-21-23-20(25)16-8-10-17(11-9-16)22-19(24)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,22,24)(H,23,25)
InChIKeyBGYYRTBKJJFMST-UHFFFAOYSA-N
XLogP3.87
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.87
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'}

Analyze 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 920980
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
N-[(5-methylfuran-2-yl)methylideneamino]cyclopropanecarboxamide
CID 871912
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992
4-(cyclohexanecarbonylamino)-N-[(2,4-dimethylphenyl)methylideneamino]benzamide
CID 5121259
4-(cyclohexanecarbonylamino)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 4509773
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide (CID 4510231) is 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)o1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is BGYYRTBKJJFMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-7-12-18(26-14)13-21-23-20(25)16-8-10-17(11-9-16)22-19(24)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 353.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 4510231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).