N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide

C17H21N3O3 — CID 88862126

IUPACN-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
SMILESO=C(/C=C/c1cccc(C(=O)NN=C2CCCCCC2)c1)NO
InChIInChI=1S/C17H21N3O3/c21-16(20-23)11-10-13-6-5-7-14(12-13)17(22)19-18-15-8-3-1-2-4-9-15/h5-7,10-12,23H,1-4,8-9H2,(H,19,22)(H,20,21)/b11-10+
InChIKeyLQQYUOYJXRAYFM-ZHACJKMWSA-N
MW315.37 g/mol
LogP2.65
Rot. Bonds4

About N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide

N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide (PubChem CID 88862126) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
PubChem CID88862126
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
SMILESO=C(/C=C/c1cccc(C(=O)NN=C2CCCCCC2)c1)NO
InChIInChI=1S/C17H21N3O3/c21-16(20-23)11-10-13-6-5-7-14(12-13)17(22)19-18-15-8-3-1-2-4-9-15/h5-7,10-12,23H,1-4,8-9H2,(H,19,22)(H,20,21)/b11-10+
InChIKeyLQQYUOYJXRAYFM-ZHACJKMWSA-N
XLogP2.65
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclooctylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123547157
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960
N-(cinnamylideneamino)-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123609140
N-(cyclododecylideneamino)benzamide
CID 4147051
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
2-[(E)-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]hydrazinylidene]methyl]benzoic acid
CID 88862098
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 88862096
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123854459
N-[(2-amino-4,6-dihydroxyphenyl)methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 137103483
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 123812830
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-(5-hydroxy-2-methylphenyl)methylideneamino]benzamide
CID 118475581
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(2-phenylmethoxyethylideneamino)benzamide
CID 123484801

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide (CID 88862126) is N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide is O=C(/C=C/c1cccc(C(=O)NN=C2CCCCCC2)c1)NO.
What is the InChIKey of N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is LQQYUOYJXRAYFM-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(20-23)11-10-13-6-5-7-14(12-13)17(22)19-18-15-8-3-1-2-4-9-15/h5-7,10-12,23H,1-4,8-9H2,(H,19,22)(H,20,21)/b11-10+.
What are the key properties of N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide?
N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 88862126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).