9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C18H32N4O4 — CID 134787423

IUPAC9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(=O)NCCCC(=O)N1CCC2(CC1)CN(C(=O)NC(C)C)CCO2
InChIInChI=1S/C18H32N4O4/c1-14(2)20-17(25)22-11-12-26-18(13-22)6-9-21(10-7-18)16(24)5-4-8-19-15(3)23/h14H,4-13H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyYAYXZOFPUBEBQH-UHFFFAOYSA-N
MW368.48 g/mol
LogP0.71
Rot. Bonds5

About 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 134787423) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID134787423
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Name9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(=O)NCCCC(=O)N1CCC2(CC1)CN(C(=O)NC(C)C)CCO2
InChIInChI=1S/C18H32N4O4/c1-14(2)20-17(25)22-11-12-26-18(13-22)6-9-21(10-7-18)16(24)5-4-8-19-15(3)23/h14H,4-13H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyYAYXZOFPUBEBQH-UHFFFAOYSA-N
XLogP0.71
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide 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 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 134787423) is 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is CC(=O)NCCCC(=O)N1CCC2(CC1)CN(C(=O)NC(C)C)CCO2.
What is the InChIKey of 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is YAYXZOFPUBEBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-14(2)20-17(25)22-11-12-26-18(13-22)6-9-21(10-7-18)16(24)5-4-8-19-15(3)23/h14H,4-13H2,1-3H3,(H,19,23)(H,20,25).
What are the key properties of 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-acetamidobutanoyl)-N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 134787423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).