N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide

C29H25N3O2 — CID 3506862

IUPACN-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
SMILESCCn1c2ccccc2c2cc(C=NNC(=O)COc3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C29H25N3O2/c1-2-32-26-14-8-6-13-24(26)25-18-21(16-17-27(25)32)19-30-31-29(33)20-34-28-15-9-7-12-23(28)22-10-4-3-5-11-22/h3-19H,2,20H2,1H3,(H,31,33)
InChIKeyMYWQFMQPIAWORV-UHFFFAOYSA-N
MW447.54 g/mol
LogP6.01
Rot. Bonds7

About N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide

N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide (PubChem CID 3506862) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
PubChem CID3506862
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
SMILESCCn1c2ccccc2c2cc(C=NNC(=O)COc3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C29H25N3O2/c1-2-32-26-14-8-6-13-24(26)25-18-21(16-17-27(25)32)19-30-31-29(33)20-34-28-15-9-7-12-23(28)22-10-4-3-5-11-22/h3-19H,2,20H2,1H3,(H,31,33)
InChIKeyMYWQFMQPIAWORV-UHFFFAOYSA-N
XLogP6.01
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 56.01
H-Bond Donors ≤ 51
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-[(Z)-benzylideneamino]-2-(2-phenylphenoxy)acetamide
CID 5420157
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 922567
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135603269
1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
CID 5432015
N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 1011382
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135610830
N-[(Z)-2-ethylbutylideneamino]-2-(2-phenylphenoxy)acetamide
CID 9315533
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 78110173
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995
trans-(1S,2S)-N-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6577123
2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9315527

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide (CID 3506862) is N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide is CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
The InChIKey is MYWQFMQPIAWORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-2-32-26-14-8-6-13-24(26)25-18-21(16-17-27(25)32)19-30-31-29(33)20-34-28-15-9-7-12-23(28)22-10-4-3-5-11-22/h3-19H,2,20H2,1H3,(H,31,33).
What are the key properties of N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide?
N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide has a molecular weight of 447.54 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 3506862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).