3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

C23H24N4O4 — CID 87419079

IUPAC3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
SMILESCCNC(=O)COCc1cccc2c(/C=N/NC(=O)c3ccc(O)c(N)c3)cccc12
InChIInChI=1S/C23H24N4O4/c1-2-25-22(29)14-31-13-17-6-4-7-18-16(5-3-8-19(17)18)12-26-27-23(30)15-9-10-21(28)20(24)11-15/h3-12,28H,2,13-14,24H2,1H3,(H,25,29)(H,27,30)/b26-12+
InChIKeyXNRYMGZNQQTJCR-RPPGKUMJSA-N
MW420.47 g/mol
LogP2.54
Rot. Bonds8

About 3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 87419079) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID87419079
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
SMILESCCNC(=O)COCc1cccc2c(/C=N/NC(=O)c3ccc(O)c(N)c3)cccc12
InChIInChI=1S/C23H24N4O4/c1-2-25-22(29)14-31-13-17-6-4-7-18-16(5-3-8-19(17)18)12-26-27-23(30)15-9-10-21(28)20(24)11-15/h3-12,28H,2,13-14,24H2,1H3,(H,25,29)(H,27,30)/b26-12+
InChIKeyXNRYMGZNQQTJCR-RPPGKUMJSA-N
XLogP2.54
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 59091698
3-amino-4-hydroxy-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 87419048
[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-propan-2-ylcarbamate
CID 59092077
3,4-dihydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135442286
3-amino-4-hydroxy-N-[(E)-[1-[(2,3,5,6-tetramethylphenyl)methyl]indol-4-yl]methylideneamino]benzamide
CID 87096465
3-chloro-4-hydroxy-N-[[5-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72514526
3-chloro-N-[[4-[2-[2-(2,6-dichlorophenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 72514298
4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135542439
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-[2-(2-ethoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 59092582
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide (CID 87419079) is 3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide is CCNC(=O)COCc1cccc2c(/C=N/NC(=O)c3ccc(O)c(N)c3)cccc12.
What is the InChIKey of 3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is XNRYMGZNQQTJCR-RPPGKUMJSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-2-25-22(29)14-31-13-17-6-4-7-18-16(5-3-8-19(17)18)12-26-27-23(30)15-9-10-21(28)20(24)11-15/h3-12,28H,2,13-14,24H2,1H3,(H,25,29)(H,27,30)/b26-12+.
What are the key properties of 3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 420.47 g/mol, XLogP of 2.54, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(E)-[5-[[2-(ethylamino)-2-oxoethoxy]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 87419079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).