N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C22H29N3O4 — CID 10135563

IUPACN-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NCC1CC1)C1=NOC2(CCN(C(=O)CCCOc3ccccc3)CC2)C1
InChIInChI=1S/C22H29N3O4/c26-20(7-4-14-28-18-5-2-1-3-6-18)25-12-10-22(11-13-25)15-19(24-29-22)21(27)23-16-17-8-9-17/h1-3,5-6,17H,4,7-16H2,(H,23,27)
InChIKeyYRBXTHFHCAUXLJ-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.51
Rot. Bonds8

About N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 10135563) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID10135563
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NCC1CC1)C1=NOC2(CCN(C(=O)CCCOc3ccccc3)CC2)C1
InChIInChI=1S/C22H29N3O4/c26-20(7-4-14-28-18-5-2-1-3-6-18)25-12-10-22(11-13-25)15-19(24-29-22)21(27)23-16-17-8-9-17/h1-3,5-6,17H,4,7-16H2,(H,23,27)
InChIKeyYRBXTHFHCAUXLJ-UHFFFAOYSA-N
XLogP2.51
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 10135563) is N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NCC1CC1)C1=NOC2(CCN(C(=O)CCCOc3ccccc3)CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is YRBXTHFHCAUXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c26-20(7-4-14-28-18-5-2-1-3-6-18)25-12-10-22(11-13-25)15-19(24-29-22)21(27)23-16-17-8-9-17/h1-3,5-6,17H,4,7-16H2,(H,23,27).
What are the key properties of N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-(4-phenoxybutanoyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 10135563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).