(4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate

C18H17NO3 — CID 88775312

IUPAC(4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESNc1cccc2c1CCCC2C(=O)Oc1ccc(C=O)cc1
InChIInChI=1S/C18H17NO3/c19-17-6-2-3-14-15(17)4-1-5-16(14)18(21)22-13-9-7-12(11-20)8-10-13/h2-3,6-11,16H,1,4-5,19H2
InChIKeyUJOGWYOVSGLOHO-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.11
Rot. Bonds3

About (4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate

(4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 88775312) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Name(4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID88775312
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESNc1cccc2c1CCCC2C(=O)Oc1ccc(C=O)cc1
InChIInChI=1S/C18H17NO3/c19-17-6-2-3-14-15(17)4-1-5-16(14)18(21)22-13-9-7-12(11-20)8-10-13/h2-3,6-11,16H,1,4-5,19H2
InChIKeyUJOGWYOVSGLOHO-UHFFFAOYSA-N
XLogP3.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 86332255
5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 174491506
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
4-(6-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)oxybenzoic acid
CID 56622794
5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 83685405
bis(4-amino-2,3-dihydro-1H-inden-1-yl) (E)-but-2-enedioate
CID 174430284
[4-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-1-enyl]phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 70537600
5-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 167731553
[4-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethoxycarbonyl]phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 13136792
[4-[4-oxo-2-(piperazine-1-carbonyl)-4-pyrrolidin-1-ylbut-1-enyl]phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 70522009
[4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 13277315
1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea
CID 165476164

Frequently Asked Questions

What is the IUPAC name of (4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of (4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 88775312) is (4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for (4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for (4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate is Nc1cccc2c1CCCC2C(=O)Oc1ccc(C=O)cc1.
What is the InChIKey of (4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is UJOGWYOVSGLOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c19-17-6-2-3-14-15(17)4-1-5-16(14)18(21)22-13-9-7-12(11-20)8-10-13/h2-3,6-11,16H,1,4-5,19H2.
What are the key properties of (4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
(4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenyl) 5-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 88775312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).