N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide

C17H23ClN2O2 — CID 118790065

IUPACN-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
SMILESO=C(CCN1CCC2(CCO2)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c18-15-3-1-2-14(12-15)13-19-16(21)4-8-20-9-5-17(6-10-20)7-11-22-17/h1-3,12H,4-11,13H2,(H,19,21)
InChIKeyBPOFSDOVRBBYOY-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.60
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide

N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide (PubChem CID 118790065) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
PubChem CID118790065
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
SMILESO=C(CCN1CCC2(CCO2)CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c18-15-3-1-2-14(12-15)13-19-16(21)4-8-20-9-5-17(6-10-20)7-11-22-17/h1-3,12H,4-11,13H2,(H,19,21)
InChIKeyBPOFSDOVRBBYOY-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24793985
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N-(2-chlorobenzyl)-3-[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide
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N-(3-chlorobenzyl)-3-[(4S*)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide
CID 70764583
N-{1-[(3-Chlorophenyl)methyl]piperidin-4-YL}-N-(oxan-4-YL)propanamide
CID 91916248
N-[(2-chlorophenyl)methyl]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide
CID 95332163
N-[(3-chlorophenyl)methyl]-3-[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]propanamide
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CID 172470744
1-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807207
1-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 807210
N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide (CID 118790065) is N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide is O=C(CCN1CCC2(CCO2)CC1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The InChIKey is BPOFSDOVRBBYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-3-1-2-14(12-15)13-19-16(21)4-8-20-9-5-17(6-10-20)7-11-22-17/h1-3,12H,4-11,13H2,(H,19,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide has a molecular weight of 322.84 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide is sourced from PubChem (CID 118790065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).