15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

C23H27N3O3 — CID 71285312

IUPAC15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
SMILESCn1c(CNC(C)(C)C)cc2cc3c(cc21)CCCc1cc(C(=O)O)c(=O)[nH]c1-3
InChIInChI=1S/C23H27N3O3/c1-23(2,3)24-12-16-8-15-10-17-13(11-19(15)26(16)4)6-5-7-14-9-18(22(28)29)21(27)25-20(14)17/h8-11,24H,5-7,12H2,1-4H3,(H,25,27)(H,28,29)
InChIKeyZUPQCMHSFCVFOF-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.61
Rot. Bonds3

About 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid

15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (PubChem CID 71285312) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid.

Molecular Properties

Compound Name15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
PubChem CID71285312
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid
SMILESCn1c(CNC(C)(C)C)cc2cc3c(cc21)CCCc1cc(C(=O)O)c(=O)[nH]c1-3
InChIInChI=1S/C23H27N3O3/c1-23(2,3)24-12-16-8-15-10-17-13(11-19(15)26(16)4)6-5-7-14-9-18(22(28)29)21(27)25-20(14)17/h8-11,24H,5-7,12H2,1-4H3,(H,25,27)(H,28,29)
InChIKeyZUPQCMHSFCVFOF-UHFFFAOYSA-N
XLogP3.61
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
The IUPAC name of 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid (CID 71285312) is 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid.
What is the SMILES notation for 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
The canonical SMILES for 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is Cn1c(CNC(C)(C)C)cc2cc3c(cc21)CCCc1cc(C(=O)O)c(=O)[nH]c1-3.
What is the InChIKey of 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
The InChIKey is ZUPQCMHSFCVFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-23(2,3)24-12-16-8-15-10-17-13(11-19(15)26(16)4)6-5-7-14-9-18(22(28)29)21(27)25-20(14)17/h8-11,24H,5-7,12H2,1-4H3,(H,25,27)(H,28,29).
What are the key properties of 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid?
15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid has a molecular weight of 393.49 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(tert-butylamino)methyl]-14-methyl-4-oxo-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaene-5-carboxylic acid is sourced from PubChem (CID 71285312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).