acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

C23H28N2O3 — CID 170845454

IUPACacetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCC(=O)O.CCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C21H24N2O.C2H4O2/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;1-2(3)4/h6-15H,5H2,1-4H3;1H3,(H,3,4)/b20-14?,22-15+;
InChIKeyKYHAWQRSSYHRBB-BKZHPPGCSA-N
MW380.49 g/mol
LogP5.19
Rot. Bonds4

About acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (PubChem CID 170845454) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.

Molecular Properties

Compound Nameacetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
PubChem CID170845454
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameacetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCC(=O)O.CCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C21H24N2O.C2H4O2/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;1-2(3)4/h6-15H,5H2,1-4H3;1H3,(H,3,4)/b20-14?,22-15+;
InChIKeyKYHAWQRSSYHRBB-BKZHPPGCSA-N
XLogP5.19
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
CID 170839740
N'-(4-ethoxyphenyl)-N-[(E)-2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]pyridine-2-carboximidamide
CID 19260382
(4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
CID 3034442
(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2334878
(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 21179247
(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2376526
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6906259
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide
CID 129431621
1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea
CID 110876822
6-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-3H-1,3-benzoxazol-2-one
CID 1205751

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The IUPAC name of acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (CID 170845454) is acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.
What is the SMILES notation for acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The canonical SMILES for acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is CC(=O)O.CCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The InChIKey is KYHAWQRSSYHRBB-BKZHPPGCSA-N. The full InChI is InChI=1S/C21H24N2O.C2H4O2/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;1-2(3)4/h6-15H,5H2,1-4H3;1H3,(H,3,4)/b20-14?,22-15+;.
What are the key properties of acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine has a molecular weight of 380.49 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(4-ethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is sourced from PubChem (CID 170845454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).