N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C19H29N3O2 — CID 118742433

IUPACN,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)N1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C19H29N3O2/c1-20(2)18(23)22-12-10-19(16-22)9-6-11-21(15-19)13-14-24-17-7-4-3-5-8-17/h3-5,7-8H,6,9-16H2,1-2H3
InChIKeyNFVRGRDFZLZWDN-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.53
Rot. Bonds4

About N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 118742433) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID118742433
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCN(C)C(=O)N1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C19H29N3O2/c1-20(2)18(23)22-12-10-19(16-22)9-6-11-21(15-19)13-14-24-17-7-4-3-5-8-17/h3-5,7-8H,6,9-16H2,1-2H3
InChIKeyNFVRGRDFZLZWDN-UHFFFAOYSA-N
XLogP2.53
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 118742433) is N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is CN(C)C(=O)N1CCC2(CCCN(CCOc3ccccc3)C2)C1.
What is the InChIKey of N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is NFVRGRDFZLZWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-20(2)18(23)22-12-10-19(16-22)9-6-11-21(15-19)13-14-24-17-7-4-3-5-8-17/h3-5,7-8H,6,9-16H2,1-2H3.
What are the key properties of N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 118742433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).