N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide

C29H25N3O3 — CID 4199818

IUPACN-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(OCC(O)Cn2c3ccccc3c3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C29H25N3O3/c33-23(19-32-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32)20-35-24-16-14-21(15-17-24)18-30-31-29(34)22-8-2-1-3-9-22/h1-18,23,33H,19-20H2,(H,31,34)
InChIKeyCDNDPVFBXNZAQB-UHFFFAOYSA-N
MW463.54 g/mol
LogP5.00
Rot. Bonds8

About N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide

N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide (PubChem CID 4199818) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide
PubChem CID4199818
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC NameN-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(OCC(O)Cn2c3ccccc3c3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C29H25N3O3/c33-23(19-32-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32)20-35-24-16-14-21(15-17-24)18-30-31-29(34)22-8-2-1-3-9-22/h1-18,23,33H,19-20H2,(H,31,34)
InChIKeyCDNDPVFBXNZAQB-UHFFFAOYSA-N
XLogP5.00
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
CID 177459672
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 3900181
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate
CID 6957334
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide (CID 4199818) is N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide is O=C(NN=Cc1ccc(OCC(O)Cn2c3ccccc3c3ccccc32)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide?
The InChIKey is CDNDPVFBXNZAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3/c33-23(19-32-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32)20-35-24-16-14-21(15-17-24)18-30-31-29(34)22-8-2-1-3-9-22/h1-18,23,33H,19-20H2,(H,31,34).
What are the key properties of N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide?
N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide has a molecular weight of 463.54 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-carbazol-9-yl-2-hydroxypropoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 4199818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).