17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

C23H29NO — CID 59255026

IUPAC17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESC#CCOc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3
InChIInChI=1S/C23H29NO/c1-2-13-25-19-9-8-18-14-22-20-5-3-4-10-23(20,21(18)15-19)11-12-24(22)16-17-6-7-17/h1,8-9,15,17,20,22H,3-7,10-14,16H2
InChIKeyYIDQQQHCCVMVJT-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.17
Rot. Bonds4

About 17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (PubChem CID 59255026) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.

Molecular Properties

Compound Name17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
PubChem CID59255026
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESC#CCOc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3
InChIInChI=1S/C23H29NO/c1-2-13-25-19-9-8-18-14-22-20-5-3-4-10-23(20,21(18)15-19)11-12-24(22)16-17-6-7-17/h1,8-9,15,17,20,22H,3-7,10-14,16H2
InChIKeyYIDQQQHCCVMVJT-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The IUPAC name of 17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene (CID 59255026) is 17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene.
What is the SMILES notation for 17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The canonical SMILES for 17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene is C#CCOc1ccc2c(c1)C13CCCCC1C(C2)N(CC1CC1)CC3.
What is the InChIKey of 17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The InChIKey is YIDQQQHCCVMVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-2-13-25-19-9-8-18-14-22-20-5-3-4-10-23(20,21(18)15-19)11-12-24(22)16-17-6-7-17/h1,8-9,15,17,20,22H,3-7,10-14,16H2.
What are the key properties of 17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene?
17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene has a molecular weight of 335.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(cyclopropylmethyl)-4-prop-2-ynoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene is sourced from PubChem (CID 59255026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).