N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide

C18H25ClN2O3 — CID 139009077

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide
SMILESCC(NC(=O)CN1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O3/c1-14(15-2-4-16(19)5-3-15)20-17(22)12-21-8-11-24-18(13-21)6-9-23-10-7-18/h2-5,14H,6-13H2,1H3,(H,20,22)
InChIKeyWKLBIZVXFJXKBT-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.40
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide

N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide (PubChem CID 139009077) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide
PubChem CID139009077
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide
SMILESCC(NC(=O)CN1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O3/c1-14(15-2-4-16(19)5-3-15)20-17(22)12-21-8-11-24-18(13-21)6-9-23-10-7-18/h2-5,14H,6-13H2,1H3,(H,20,22)
InChIKeyWKLBIZVXFJXKBT-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 120772224
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 81353847
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 79328175
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95332208
N-[1-(4-ethylsulfanylphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 24840182
N-[1-(4-chlorophenyl)ethyl]-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 86919652
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,9-dioxaspiro[5.5]undecan-4-yl)urea
CID 128676663
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
N-[1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 86993679

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide (CID 139009077) is N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide is CC(NC(=O)CN1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide?
The InChIKey is WKLBIZVXFJXKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-14(15-2-4-16(19)5-3-15)20-17(22)12-21-8-11-24-18(13-21)6-9-23-10-7-18/h2-5,14H,6-13H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide has a molecular weight of 352.86 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)acetamide is sourced from PubChem (CID 139009077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).