2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C23H26ClN3O5 — CID 129455239

IUPAC2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCOC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2
InChIInChI=1S/C23H26ClN3O5/c1-16-3-8-20(30-2)19(11-16)25-21(28)12-26-9-10-31-15-23(13-26)14-27(22(29)32-23)18-6-4-17(24)5-7-18/h3-8,11H,9-10,12-15H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyHQDYDLCMTWSOCP-QHCPKHFHSA-N
MW459.93 g/mol
LogP3.32
Rot. Bonds5

About 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 129455239) has the molecular formula C23H26ClN3O5 and a molecular weight of 459.93 g/mol. Its IUPAC name is 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID129455239
Molecular FormulaC23H26ClN3O5
Molecular Weight459.93 g/mol
Exact Mass459.16
IUPAC Name2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCOC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2
InChIInChI=1S/C23H26ClN3O5/c1-16-3-8-20(30-2)19(11-16)25-21(28)12-26-9-10-31-15-23(13-26)14-27(22(29)32-23)18-6-4-17(24)5-7-18/h3-8,11H,9-10,12-15H2,1-2H3,(H,25,28)/t23-/m0/s1
InChIKeyHQDYDLCMTWSOCP-QHCPKHFHSA-N
XLogP3.32
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 110152741
2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 129458251
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686607
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 115874121
N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide
CID 99801253
N-(2-methoxy-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002684
N-(2-methoxy-5-methylphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002685
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
2-(1,4-diazepan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 119906331
2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 3948531
2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27156862

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 129455239) is 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN1CCOC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2.
What is the InChIKey of 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is HQDYDLCMTWSOCP-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26ClN3O5/c1-16-3-8-20(30-2)19(11-16)25-21(28)12-26-9-10-31-15-23(13-26)14-27(22(29)32-23)18-6-4-17(24)5-7-18/h3-8,11H,9-10,12-15H2,1-2H3,(H,25,28)/t23-/m0/s1.
What are the key properties of 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 459.93 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 129455239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).