N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide

C19H29N3O2 — CID 99855812

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
SMILESCN(C)[C@H](CNC(=O)CN1CC[C@@]2(CCOC2)C1)c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-21(2)17(16-6-4-3-5-7-16)12-20-18(23)13-22-10-8-19(14-22)9-11-24-15-19/h3-7,17H,8-15H2,1-2H3,(H,20,23)/t17-,19-/m1/s1
InChIKeyGHZQVXSMTNCYTE-IEBWSBKVSA-N
MW331.46 g/mol
LogP1.52
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide (PubChem CID 99855812) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
PubChem CID99855812
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
SMILESCN(C)[C@H](CNC(=O)CN1CC[C@@]2(CCOC2)C1)c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-21(2)17(16-6-4-3-5-7-16)12-20-18(23)13-22-10-8-19(14-22)9-11-24-15-19/h3-7,17H,8-15H2,1-2H3,(H,20,23)/t17-,19-/m1/s1
InChIKeyGHZQVXSMTNCYTE-IEBWSBKVSA-N
XLogP1.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide (CID 99855812) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide is CN(C)[C@H](CNC(=O)CN1CC[C@@]2(CCOC2)C1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The InChIKey is GHZQVXSMTNCYTE-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21(2)17(16-6-4-3-5-7-16)12-20-18(23)13-22-10-8-19(14-22)9-11-24-15-19/h3-7,17H,8-15H2,1-2H3,(H,20,23)/t17-,19-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide is sourced from PubChem (CID 99855812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).