2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide

C29H27N3O4 — CID 90361042

IUPAC2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide
SMILESC=C/C=C\C(N)NC(=O)COc1ccc2ccccc2c1-c1c(OCC(N)=O)ccc2ccccc12
InChIInChI=1S/C29H27N3O4/c1-2-3-12-25(30)32-27(34)18-36-24-16-14-20-9-5-7-11-22(20)29(24)28-21-10-6-4-8-19(21)13-15-23(28)35-17-26(31)33/h2-16,25H,1,17-18,30H2,(H2,31,33)(H,32,34)/b12-3-
InChIKeyZYGLHVQBFMOBDC-BASWHVEKSA-N
MW481.55 g/mol
LogP4.05
Rot. Bonds10

About 2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide

2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide (PubChem CID 90361042) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound Name2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide
PubChem CID90361042
Molecular FormulaC29H27N3O4
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC Name2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide
SMILESC=C/C=C\C(N)NC(=O)COc1ccc2ccccc2c1-c1c(OCC(N)=O)ccc2ccccc12
InChIInChI=1S/C29H27N3O4/c1-2-3-12-25(30)32-27(34)18-36-24-16-14-20-9-5-7-11-22(20)29(24)28-21-10-6-4-8-19(21)13-15-23(28)35-17-26(31)33/h2-16,25H,1,17-18,30H2,(H2,31,33)(H,32,34)/b12-3-
InChIKeyZYGLHVQBFMOBDC-BASWHVEKSA-N
XLogP4.05
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 25112232
4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid
CID 19038771
2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
CID 964401
prop-2-enyl 2-[1-[2-(2-oxo-2-prop-2-enoxyethoxy)phenanthren-1-yl]phenanthren-2-yl]oxyacetate
CID 176819786
ethenyl 2-[1-[2-(2-ethenoxy-2-oxoethoxy)phenanthren-1-yl]phenanthren-2-yl]oxyacetate
CID 176819843
methyl (2S)-2-[[(2R)-6-[[amino-(methylideneamino)methylidene]amino]-2-[[2-[1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-yl]oxyacetyl]amino]hexanoyl]amino]pent-4-enoate
CID 89386322
2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053536
methyl 3-[[(2R)-5-amino-2-[[2-[1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-yl]oxyacetyl]amino]pentanoyl]amino]benzoate
CID 59860590
ethenyl 2-[4-[3-(2-ethenoxy-2-oxoethoxy)phenanthren-4-yl]phenanthren-3-yl]oxyacetate
CID 176819798
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053529
1-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]naphthalen-1-yl]naphthalen-2-ol
CID 178030864
2-[1-[2-(carboxymethoxy)phenanthren-1-yl]phenanthren-2-yl]oxyacetic acid
CID 176819783

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide?
The IUPAC name of 2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide (CID 90361042) is 2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for 2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide?
The canonical SMILES for 2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide is C=C/C=C\C(N)NC(=O)COc1ccc2ccccc2c1-c1c(OCC(N)=O)ccc2ccccc12.
What is the InChIKey of 2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide?
The InChIKey is ZYGLHVQBFMOBDC-BASWHVEKSA-N. The full InChI is InChI=1S/C29H27N3O4/c1-2-3-12-25(30)32-27(34)18-36-24-16-14-20-9-5-7-11-22(20)29(24)28-21-10-6-4-8-19(21)13-15-23(28)35-17-26(31)33/h2-16,25H,1,17-18,30H2,(H2,31,33)(H,32,34)/b12-3-.
What are the key properties of 2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide?
2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide has a molecular weight of 481.55 g/mol, XLogP of 4.05, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-[[(2Z)-1-aminopenta-2,4-dienyl]amino]-2-oxoethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 90361042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).