N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C25H33N5O4 — CID 5136894

IUPACN-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCCCCNC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccco1)CN2c1ccccc1
InChIInChI=1S/C25H33N5O4/c1-2-3-13-26-24(33)28-14-11-25(12-15-28)23(32)29(19-30(25)20-8-5-4-6-9-20)18-22(31)27-17-21-10-7-16-34-21/h4-10,16H,2-3,11-15,17-19H2,1H3,(H,26,33)(H,27,31)
InChIKeyIPHIQCHVAOTYIN-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.55
Rot. Bonds8

About N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 5136894) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID5136894
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC NameN-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCCCCNC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccco1)CN2c1ccccc1
InChIInChI=1S/C25H33N5O4/c1-2-3-13-26-24(33)28-14-11-25(12-15-28)23(32)29(19-30(25)20-8-5-4-6-9-20)18-22(31)27-17-21-10-7-16-34-21/h4-10,16H,2-3,11-15,17-19H2,1H3,(H,26,33)(H,27,31)
InChIKeyIPHIQCHVAOTYIN-UHFFFAOYSA-N
XLogP2.55
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.55
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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Related Compounds

N-(furan-2-ylmethyl)-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3670064
2-[8-(4-bromobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 3947972
N-butyl-3-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3290735
N-(furan-2-ylmethyl)-2-[8-(3-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3916702
3-[2-(3-methoxypropylamino)-2-oxoethyl]-4-oxo-N,1-diphenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771014
N-(3-ethoxypropyl)-2-(8-hexanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 5131044
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 42770977
N-(3-ethoxypropyl)-2-(8-nonanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 42773681
3-[2-(benzylamino)-2-oxoethyl]-N-(4-ethylphenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3619703
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-prop-2-enylacetamide
CID 24717222
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 3530304
2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-ethylacetamide
CID 5001522

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 5136894) is N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CCCCNC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccco1)CN2c1ccccc1.
What is the InChIKey of N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is IPHIQCHVAOTYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-2-3-13-26-24(33)28-14-11-25(12-15-28)23(32)29(19-30(25)20-8-5-4-6-9-20)18-22(31)27-17-21-10-7-16-34-21/h4-10,16H,2-3,11-15,17-19H2,1H3,(H,26,33)(H,27,31).
What are the key properties of N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 5136894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).