N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide

C18H32N4O4 — CID 134791130

IUPACN-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCOC2(CCN(C(=O)CCCN)CC2)C1
InChIInChI=1S/C18H32N4O4/c1-15(23)20-9-3-5-17(25)22-12-13-26-18(14-22)6-10-21(11-7-18)16(24)4-2-8-19/h2-14,19H2,1H3,(H,20,23)
InChIKeyXWMOGAGZKSPFDA-UHFFFAOYSA-N
MW368.48 g/mol
LogP-0.14
Rot. Bonds7

About N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide

N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide (PubChem CID 134791130) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide.

Molecular Properties

Compound NameN-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide
PubChem CID134791130
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC NameN-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCOC2(CCN(C(=O)CCCN)CC2)C1
InChIInChI=1S/C18H32N4O4/c1-15(23)20-9-3-5-17(25)22-12-13-26-18(14-22)6-10-21(11-7-18)16(24)4-2-8-19/h2-14,19H2,1H3,(H,20,23)
InChIKeyXWMOGAGZKSPFDA-UHFFFAOYSA-N
XLogP-0.14
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide?
The IUPAC name of N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide (CID 134791130) is N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide.
What is the SMILES notation for N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide?
The canonical SMILES for N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide is CC(=O)NCCCC(=O)N1CCOC2(CCN(C(=O)CCCN)CC2)C1.
What is the InChIKey of N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide?
The InChIKey is XWMOGAGZKSPFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-15(23)20-9-3-5-17(25)22-12-13-26-18(14-22)6-10-21(11-7-18)16(24)4-2-8-19/h2-14,19H2,1H3,(H,20,23).
What are the key properties of N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide?
N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-aminobutanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-4-oxobutyl]acetamide is sourced from PubChem (CID 134791130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).