2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

C19H29N3O2 — CID 138028740

IUPAC2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1cccc(CNC(=O)CNC2CCNC23CCC3)c1
InChIInChI=1S/C19H29N3O2/c1-14(2)24-16-6-3-5-15(11-16)12-21-18(23)13-20-17-7-10-22-19(17)8-4-9-19/h3,5-6,11,14,17,20,22H,4,7-10,12-13H2,1-2H3,(H,21,23)
InChIKeyQCIHEPDQLDGCQK-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.96
Rot. Bonds7

About 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 138028740) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID138028740
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1cccc(CNC(=O)CNC2CCNC23CCC3)c1
InChIInChI=1S/C19H29N3O2/c1-14(2)24-16-6-3-5-15(11-16)12-21-18(23)13-20-17-7-10-22-19(17)8-4-9-19/h3,5-6,11,14,17,20,22H,4,7-10,12-13H2,1-2H3,(H,21,23)
InChIKeyQCIHEPDQLDGCQK-UHFFFAOYSA-N
XLogP1.96
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide with MolForge

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Related Compounds

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2-[1-(3-methoxybenzyl)-3-oxo-2-piperazinyl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (CID 138028740) is 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1cccc(CNC(=O)CNC2CCNC23CCC3)c1.
What is the InChIKey of 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is QCIHEPDQLDGCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)24-16-6-3-5-15(11-16)12-21-18(23)13-20-17-7-10-22-19(17)8-4-9-19/h3,5-6,11,14,17,20,22H,4,7-10,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[3.4]octan-8-ylamino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 138028740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).