4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide

C28H29N3O3 — CID 4509998

IUPAC4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C28H29N3O3/c32-27(23-11-5-2-6-12-23)30-25-16-14-24(15-17-25)28(33)31-29-19-22-10-7-13-26(18-22)34-20-21-8-3-1-4-9-21/h1,3-4,7-10,13-19,23H,2,5-6,11-12,20H2,(H,30,32)(H,31,33)
InChIKeyYYFHGQMSGDMPNU-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.55
Rot. Bonds8

About 4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide

4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 4509998) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID4509998
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C28H29N3O3/c32-27(23-11-5-2-6-12-23)30-25-16-14-24(15-17-25)28(33)31-29-19-22-10-7-13-26(18-22)34-20-21-8-3-1-4-9-21/h1,3-4,7-10,13-19,23H,2,5-6,11-12,20H2,(H,30,32)(H,31,33)
InChIKeyYYFHGQMSGDMPNU-UHFFFAOYSA-N
XLogP5.55
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.55
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

N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 922326
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
4-(cyclohexanecarbonylamino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5432764
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6024079
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide (CID 4509998) is 4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is YYFHGQMSGDMPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c32-27(23-11-5-2-6-12-23)30-25-16-14-24(15-17-25)28(33)31-29-19-22-10-7-13-26(18-22)34-20-21-8-3-1-4-9-21/h1,3-4,7-10,13-19,23H,2,5-6,11-12,20H2,(H,30,32)(H,31,33).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 455.56 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4509998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).