9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate

C28H32N2O5 — CID 88785771

IUPAC9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate
SMILESCCOC(=O)CNC(=O)OCC.OCCCCC#CC#CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H19NO.C7H13NO4/c23-17-11-5-3-1-2-4-10-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22;1-3-11-6(9)5-8-7(10)12-4-2/h6-9,12-15,23H,3,5,11,16-17H2;3-5H2,1-2H3,(H,8,10)
InChIKeySIDOWNHZSHYEQL-UHFFFAOYSA-N
MW476.57 g/mol
LogP4.26
Rot. Bonds8

About 9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate

9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate (PubChem CID 88785771) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate.

Molecular Properties

Compound Name9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate
PubChem CID88785771
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate
SMILESCCOC(=O)CNC(=O)OCC.OCCCCC#CC#CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H19NO.C7H13NO4/c23-17-11-5-3-1-2-4-10-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22;1-3-11-6(9)5-8-7(10)12-4-2/h6-9,12-15,23H,3,5,11,16-17H2;3-5H2,1-2H3,(H,8,10)
InChIKeySIDOWNHZSHYEQL-UHFFFAOYSA-N
XLogP4.26
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(ethoxycarbonylamino)acetate;9-carbazol-9-ylnona-5,7-diyn-1-ol
CID 88785880
9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl N-dodecylcarbamate
CID 88786718
dodeca-5,7-diyne-1,12-diol;bis(ethyl 2-(ethoxycarbonylamino)acetate)
CID 88713618
9-carbazol-9-ylnona-5,7-diyn-1-ol;icosan-2-yl carbamate
CID 88786133
9-(10-carbazol-9-yldeca-4,6-diynyl)carbazole;9-(6-carbazol-9-ylhexa-2,4-diynyl)carbazole
CID 22759893
(2-ethoxy-2-oxoethyl)carbamoyloxymethyl benzoate
CID 56677146
9-(5-carbazol-9-ylpenta-1,3-diynyl)carbazole
CID 101225046
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
carbazol-9-ylmethyl propanoate
CID 122502701
butyl 2-(13-quinolin-3-yltrideca-10,12-diynoxycarbonylamino)acetate
CID 101147820
ethyl 3-(3-aminocarbazol-9-yl)propanoate
CID 12051457
methyl 2-carbazol-9-ylacetate
CID 3745219

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate?
The IUPAC name of 9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate (CID 88785771) is 9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate.
What is the SMILES notation for 9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate?
The canonical SMILES for 9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate is CCOC(=O)CNC(=O)OCC.OCCCCC#CC#CCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate?
The InChIKey is SIDOWNHZSHYEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO.C7H13NO4/c23-17-11-5-3-1-2-4-10-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22;1-3-11-6(9)5-8-7(10)12-4-2/h6-9,12-15,23H,3,5,11,16-17H2;3-5H2,1-2H3,(H,8,10).
What are the key properties of 9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate?
9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate has a molecular weight of 476.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-ylnona-5,7-diyn-1-ol;ethyl 2-(ethoxycarbonylamino)acetate is sourced from PubChem (CID 88785771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).