(2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid

C21H19N3O5 — CID 19004364

IUPAC(2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid
SMILESNC(=O)N/N=C(\C(=O)O)c1ccc(OCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H19N3O5/c22-21(27)24-23-19(20(25)26)15-6-8-17(9-7-15)28-11-12-29-18-10-5-14-3-1-2-4-16(14)13-18/h1-10,13H,11-12H2,(H,25,26)(H3,22,24,27)/b23-19-
InChIKeyLJBSDKLEVYJLKU-NMWGTECJSA-N
MW393.40 g/mol
LogP2.75
Rot. Bonds8

About (2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid

(2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid (PubChem CID 19004364) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is (2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name(2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid
PubChem CID19004364
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name(2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid
SMILESNC(=O)N/N=C(\C(=O)O)c1ccc(OCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H19N3O5/c22-21(27)24-23-19(20(25)26)15-6-8-17(9-7-15)28-11-12-29-18-10-5-14-3-1-2-4-16(14)13-18/h1-10,13H,11-12H2,(H,25,26)(H3,22,24,27)/b23-19-
InChIKeyLJBSDKLEVYJLKU-NMWGTECJSA-N
XLogP2.75
TPSA123.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid
CID 173336218
methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
CID 63041601
2-[3,5-dichloro-4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid
CID 19004330
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
2-naphthalen-2-yloxy-N-(propan-2-ylideneamino)acetamide
CID 5204578
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4247588
2-(4-butoxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid
CID 4613458
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide
CID 75419016
7-naphthalen-2-yloxyheptanoic acid
CID 39371628

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid?
The IUPAC name of (2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid (CID 19004364) is (2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid.
What is the SMILES notation for (2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid?
The canonical SMILES for (2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid is NC(=O)N/N=C(\C(=O)O)c1ccc(OCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid?
The InChIKey is LJBSDKLEVYJLKU-NMWGTECJSA-N. The full InChI is InChI=1S/C21H19N3O5/c22-21(27)24-23-19(20(25)26)15-6-8-17(9-7-15)28-11-12-29-18-10-5-14-3-1-2-4-16(14)13-18/h1-10,13H,11-12H2,(H,25,26)(H3,22,24,27)/b23-19-.
What are the key properties of (2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid?
(2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid has a molecular weight of 393.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid is sourced from PubChem (CID 19004364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).