N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide

C22H21N3O3 — CID 135958384

IUPACN-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide
SMILESCC(=O)/N=C1\c2ccccc2-c2c(=O)n(CCN(C)C)c(O)c3cccc1c23
InChIInChI=1S/C22H21N3O3/c1-13(26)23-20-15-8-5-4-7-14(15)19-18-16(20)9-6-10-17(18)21(27)25(22(19)28)12-11-24(2)3/h4-10,27H,11-12H2,1-3H3/b23-20+
InChIKeyAEPOOEPBRMCWOX-BSYVCWPDSA-N
MW375.43 g/mol
LogP2.63
Rot. Bonds3

About N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide

N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide (PubChem CID 135958384) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide.

Molecular Properties

Compound NameN-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide
PubChem CID135958384
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide
SMILESCC(=O)/N=C1\c2ccccc2-c2c(=O)n(CCN(C)C)c(O)c3cccc1c23
InChIInChI=1S/C22H21N3O3/c1-13(26)23-20-15-8-5-4-7-14(15)19-18-16(20)9-6-10-17(18)21(27)25(22(19)28)12-11-24(2)3/h4-10,27H,11-12H2,1-3H3/b23-20+
InChIKeyAEPOOEPBRMCWOX-BSYVCWPDSA-N
XLogP2.63
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide?
The IUPAC name of N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide (CID 135958384) is N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide.
What is the SMILES notation for N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide?
The canonical SMILES for N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide is CC(=O)/N=C1\c2ccccc2-c2c(=O)n(CCN(C)C)c(O)c3cccc1c23.
What is the InChIKey of N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide?
The InChIKey is AEPOOEPBRMCWOX-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13(26)23-20-15-8-5-4-7-14(15)19-18-16(20)9-6-10-17(18)21(27)25(22(19)28)12-11-24(2)3/h4-10,27H,11-12H2,1-3H3/b23-20+.
What are the key properties of N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide?
N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[15-[2-(dimethylamino)ethyl]-14-hydroxy-16-oxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-8-ylidene]acetamide is sourced from PubChem (CID 135958384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).