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

C17H27N3O3 — CID 17409825

IUPACN-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCCC1
InChIInChI=1S/C17H27N3O3/c21-14(18-13-7-3-1-2-4-8-13)9-12-20-15(22)17(19-16(20)23)10-5-6-11-17/h13H,1-12H2,(H,18,21)(H,19,23)
InChIKeyWKWAASVEZFHJOO-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.08
Rot. Bonds4

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

N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 17409825) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID17409825
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCCC1
InChIInChI=1S/C17H27N3O3/c21-14(18-13-7-3-1-2-4-8-13)9-12-20-15(22)17(19-16(20)23)10-5-6-11-17/h13H,1-12H2,(H,18,21)(H,19,23)
InChIKeyWKWAASVEZFHJOO-UHFFFAOYSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.08
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

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-piperidin-3-ylpropanamide
CID 119425679
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55952841
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450875
ethyl 4-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoylamino]piperidine-1-carboxylate
CID 31844794
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 41291477
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 124725635
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119610181
1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
CID 47012814
N-(2-adamantyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 17462541
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119601938

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 17409825) is N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is WKWAASVEZFHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-14(18-13-7-3-1-2-4-8-13)9-12-20-15(22)17(19-16(20)23)10-5-6-11-17/h13H,1-12H2,(H,18,21)(H,19,23).
What are the key properties of N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 17409825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).