N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C17H20ClN3O3 — CID 7277395

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESC[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3/c1-11(12-4-6-13(18)7-5-12)19-14(22)10-21-15(23)17(20-16(21)24)8-2-3-9-17/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)/t11-/m0/s1
InChIKeyZKPWVRAPLVRIIT-NSHDSACASA-N
MW349.82 g/mol
LogP2.38
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 7277395) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID7277395
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESC[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3O3/c1-11(12-4-6-13(18)7-5-12)19-14(22)10-21-15(23)17(20-16(21)24)8-2-3-9-17/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)/t11-/m0/s1
InChIKeyZKPWVRAPLVRIIT-NSHDSACASA-N
XLogP2.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51150839
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 41046411
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 40939205
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4880191
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 41229330
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 42978759
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 98785310
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 98785312
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7179083
N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892529
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7610694
N-[1-(3-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823434

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 7277395) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is ZKPWVRAPLVRIIT-NSHDSACASA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11(12-4-6-13(18)7-5-12)19-14(22)10-21-15(23)17(20-16(21)24)8-2-3-9-17/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 349.82 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 7277395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).