N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C23H32N2O3 — CID 91909251

IUPACN-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)CCc3ccccc3)CC2)C1
InChIInChI=1S/C23H32N2O3/c1-18(26)25(20-8-9-20)21-11-16-28-23(17-21)12-14-24(15-13-23)22(27)10-7-19-5-3-2-4-6-19/h2-6,20-21H,7-17H2,1H3
InChIKeyINCYUTBLZRLDCT-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.17
Rot. Bonds5

About N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 91909251) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID91909251
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)CCc3ccccc3)CC2)C1
InChIInChI=1S/C23H32N2O3/c1-18(26)25(20-8-9-20)21-11-16-28-23(17-21)12-14-24(15-13-23)22(27)10-7-19-5-3-2-4-6-19/h2-6,20-21H,7-17H2,1H3
InChIKeyINCYUTBLZRLDCT-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 91909251) is N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)CCc3ccccc3)CC2)C1.
What is the InChIKey of N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is INCYUTBLZRLDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-18(26)25(20-8-9-20)21-11-16-28-23(17-21)12-14-24(15-13-23)22(27)10-7-19-5-3-2-4-6-19/h2-6,20-21H,7-17H2,1H3.
What are the key properties of N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[9-(3-phenylpropanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 91909251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).