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

C27H32N4O5 — CID 177250750

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide
SMILESCc1cccc(NC(=O)COc2ccc(CCNC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)c1
InChIInChI=1S/C27H32N4O5/c1-19-5-4-6-21(17-19)29-24(33)18-36-22-9-7-20(8-10-22)11-15-28-23(32)12-16-31-25(34)27(30-26(31)35)13-2-3-14-27/h4-10,17H,2-3,11-16,18H2,1H3,(H,28,32)(H,29,33)(H,30,35)
InChIKeyOIBAEYCNPDWRDY-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.93
Rot. Bonds10

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

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide (PubChem CID 177250750) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide
PubChem CID177250750
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide
SMILESCc1cccc(NC(=O)COc2ccc(CCNC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)c1
InChIInChI=1S/C27H32N4O5/c1-19-5-4-6-21(17-19)29-24(33)18-36-22-9-7-20(8-10-22)11-15-28-23(32)12-16-31-25(34)27(30-26(31)35)13-2-3-14-27/h4-10,17H,2-3,11-16,18H2,1H3,(H,28,32)(H,29,33)(H,30,35)
InChIKeyOIBAEYCNPDWRDY-UHFFFAOYSA-N
XLogP2.93
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide (CID 177250750) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide is Cc1cccc(NC(=O)COc2ccc(CCNC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)c1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide?
The InChIKey is OIBAEYCNPDWRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-19-5-4-6-21(17-19)29-24(33)18-36-22-9-7-20(8-10-22)11-15-28-23(32)12-16-31-25(34)27(30-26(31)35)13-2-3-14-27/h4-10,17H,2-3,11-16,18H2,1H3,(H,28,32)(H,29,33)(H,30,35).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide has a molecular weight of 492.58 g/mol, XLogP of 2.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]propanamide is sourced from PubChem (CID 177250750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).