N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide

C18H23N3O — CID 58449992

IUPACN,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide
SMILESCc1ccc2c(c1)c1c(n2CC(=O)N(C)C)CN2CCC1C2
InChIInChI=1S/C18H23N3O/c1-12-4-5-15-14(8-12)18-13-6-7-20(9-13)10-16(18)21(15)11-17(22)19(2)3/h4-5,8,13H,6-7,9-11H2,1-3H3
InChIKeyKHMVUHNIGYSWBZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.34
Rot. Bonds2

About N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide

N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide (PubChem CID 58449992) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide
PubChem CID58449992
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide
SMILESCc1ccc2c(c1)c1c(n2CC(=O)N(C)C)CN2CCC1C2
InChIInChI=1S/C18H23N3O/c1-12-4-5-15-14(8-12)18-13-6-7-20(9-13)10-16(18)21(15)11-17(22)19(2)3/h4-5,8,13H,6-7,9-11H2,1-3H3
InChIKeyKHMVUHNIGYSWBZ-UHFFFAOYSA-N
XLogP2.34
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide (CID 58449992) is N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide is Cc1ccc2c(c1)c1c(n2CC(=O)N(C)C)CN2CCC1C2.
What is the InChIKey of N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide?
The InChIKey is KHMVUHNIGYSWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-4-5-15-14(8-12)18-13-6-7-20(9-13)10-16(18)21(15)11-17(22)19(2)3/h4-5,8,13H,6-7,9-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide?
N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methyl-9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)acetamide is sourced from PubChem (CID 58449992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).