N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide

C28H30N4O4 — CID 135585825

IUPACN-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(C(C)=O)c1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C28H30N4O4/c1-18(33)32(15-14-29-2)21-12-10-20(11-13-21)30-27(19-8-6-5-7-9-19)26-22-16-24(35-3)25(36-4)17-23(22)31-28(26)34/h5-13,16-17,29,31,34H,14-15H2,1-4H3/b30-27+
InChIKeyLPZVXKVXSJVKTD-KDJFERLWSA-N
MW486.57 g/mol
LogP4.63
Rot. Bonds9

About N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide

N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide (PubChem CID 135585825) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide
PubChem CID135585825
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCN(C(C)=O)c1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C28H30N4O4/c1-18(33)32(15-14-29-2)21-12-10-20(11-13-21)30-27(19-8-6-5-7-9-19)26-22-16-24(35-3)25(36-4)17-23(22)31-28(26)34/h5-13,16-17,29,31,34H,14-15H2,1-4H3/b30-27+
InChIKeyLPZVXKVXSJVKTD-KDJFERLWSA-N
XLogP4.63
TPSA99.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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3-[(E)-[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]indazol-6-ylidene]methyl]-5-methoxy-1H-indol-2-ol
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CID 25210130
N-[2-[5-methoxy-2-[(5-methoxy-2,3-dihydroindol-1-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
CID 25209998

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide (CID 135585825) is N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide is CNCCN(C(C)=O)c1ccc(/N=C(\c2ccccc2)c2c(O)[nH]c3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is LPZVXKVXSJVKTD-KDJFERLWSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-18(33)32(15-14-29-2)21-12-10-20(11-13-21)30-27(19-8-6-5-7-9-19)26-22-16-24(35-3)25(36-4)17-23(22)31-28(26)34/h5-13,16-17,29,31,34H,14-15H2,1-4H3/b30-27+.
What are the key properties of N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide?
N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 486.57 g/mol, XLogP of 4.63, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-hydroxy-5,6-dimethoxy-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 135585825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).