N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide

C16H19ClN4O4 — CID 99801253

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O
InChIInChI=1S/C16H19ClN4O4/c1-25-12-4-3-10(17)7-11(12)18-13(22)8-21-6-2-5-16(9-21)14(23)19-15(24)20-16/h3-4,7H,2,5-6,8-9H2,1H3,(H,18,22)(H2,19,20,23,24)/t16-/m0/s1
InChIKeyNDVDHBYCRYYSEH-INIZCTEOSA-N
MW366.81 g/mol
LogP0.96
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide (PubChem CID 99801253) has the molecular formula C16H19ClN4O4 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide
PubChem CID99801253
Molecular FormulaC16H19ClN4O4
Molecular Weight366.81 g/mol
Exact Mass366.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O
InChIInChI=1S/C16H19ClN4O4/c1-25-12-4-3-10(17)7-11(12)18-13(22)8-21-6-2-5-16(9-21)14(23)19-15(24)20-16/h3-4,7H,2,5-6,8-9H2,1H3,(H,18,22)(H2,19,20,23,24)/t16-/m0/s1
InChIKeyNDVDHBYCRYYSEH-INIZCTEOSA-N
XLogP0.96
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 115874121
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
8-[7-(5-chloro-2-methoxyphenyl)-7-oxoheptyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931398
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
N-(5-chloro-2-methoxyphenyl)-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 60563453
N-(5-chloro-2-methoxyphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 119927614
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37192606
N-(5-chloro-2-methoxyphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703591
N-(5-chloro-2-methoxyphenyl)-2-[8-(4-methylphenyl)-3,4-dioxo-1,6,7,8a-tetrahydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide
CID 156590965
N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26094914

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide (CID 99801253) is N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide?
The InChIKey is NDVDHBYCRYYSEH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19ClN4O4/c1-25-12-4-3-10(17)7-11(12)18-13(22)8-21-6-2-5-16(9-21)14(23)19-15(24)20-16/h3-4,7H,2,5-6,8-9H2,1H3,(H,18,22)(H2,19,20,23,24)/t16-/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide has a molecular weight of 366.81 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl]acetamide is sourced from PubChem (CID 99801253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).