N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

C16H26N4O2 — CID 46993493

IUPACN-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCCCNC(=O)N1CCC2(CC1)N=C(CC1CC1)NC2=O
InChIInChI=1S/C16H26N4O2/c1-2-3-8-17-15(22)20-9-6-16(7-10-20)14(21)18-13(19-16)11-12-4-5-12/h12H,2-11H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyMQFGQBCMPXWAGL-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.66
Rot. Bonds5

About N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 46993493) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID46993493
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCCCNC(=O)N1CCC2(CC1)N=C(CC1CC1)NC2=O
InChIInChI=1S/C16H26N4O2/c1-2-3-8-17-15(22)20-9-6-16(7-10-20)14(21)18-13(19-16)11-12-4-5-12/h12H,2-11H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyMQFGQBCMPXWAGL-UHFFFAOYSA-N
XLogP1.66
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methylbutyl)-8-[(2-oxopyrrolidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46991451
2-(3-Methylbutyl)-8-(4-oxopentanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46992235
2-(3-Methylbutyl)-8-[(4-methylpiperazin-1-yl)carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46999670
2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46985220
N-{1-[(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)carbonyl]-2-methylpropyl}acetamide
CID 46982582
N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 50953560
N-((4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)methyl)acetamide
CID 57908095
2-Propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 86277609
2-(1-Acetylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 117745840
2-Propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 117745860
2-(1-Acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118480267
4-[[[2-(1-aminoethylideneamino)-2,4-dimethylpentanoyl]amino]methyl]-N-tert-butylpiperidine-1-carboxamide
CID 143064660

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 46993493) is N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is CCCCNC(=O)N1CCC2(CC1)N=C(CC1CC1)NC2=O.
What is the InChIKey of N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is MQFGQBCMPXWAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-3-8-17-15(22)20-9-6-16(7-10-20)14(21)18-13(19-16)11-12-4-5-12/h12H,2-11H2,1H3,(H,17,22)(H,18,19,21).
What are the key properties of N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(cyclopropylmethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 46993493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).