N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide

C18H21N3O4 — CID 7277275

IUPACN-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C18H21N3O4/c1-2-15(23)19-13-7-5-12(6-8-13)14(22)11-21-16(24)18(20-17(21)25)9-3-4-10-18/h5-8H,2-4,9-11H2,1H3,(H,19,23)(H,20,25)
InChIKeyXVLDHXYRJNSKQM-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.08
Rot. Bonds5

About N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide

N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide (PubChem CID 7277275) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide
PubChem CID7277275
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C18H21N3O4/c1-2-15(23)19-13-7-5-12(6-8-13)14(22)11-21-16(24)18(20-17(21)25)9-3-4-10-18/h5-8H,2-4,9-11H2,1H3,(H,19,23)(H,20,25)
InChIKeyXVLDHXYRJNSKQM-UHFFFAOYSA-N
XLogP2.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178363
N-[4-[2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178360
4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55888176
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate
CID 7240794
N-[4-[2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 4814138
N-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]hexanamide
CID 7180897
propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate
CID 7277193
3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2710899

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide (CID 7277275) is N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide?
The InChIKey is XVLDHXYRJNSKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-15(23)19-13-7-5-12(6-8-13)14(22)11-21-16(24)18(20-17(21)25)9-3-4-10-18/h5-8H,2-4,9-11H2,1H3,(H,19,23)(H,20,25).
What are the key properties of N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide?
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide has a molecular weight of 343.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide is sourced from PubChem (CID 7277275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).