N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C25H37N5O4 — CID 3985724

IUPACN-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCOCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NC3CCCCC3)CC2)C1=O
InChIInChI=1S/C25H37N5O4/c1-34-17-14-26-22(31)18-29-19-30(21-10-6-3-7-11-21)25(23(29)32)12-15-28(16-13-25)24(33)27-20-8-4-2-5-9-20/h3,6-7,10-11,20H,2,4-5,8-9,12-19H2,1H3,(H,26,31)(H,27,33)
InChIKeyNUAPBCPWBBKMEF-UHFFFAOYSA-N
MW471.60 g/mol
LogP1.93
Rot. Bonds7

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

N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 3985724) has the molecular formula C25H37N5O4 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID3985724
Molecular FormulaC25H37N5O4
Molecular Weight471.60 g/mol
Exact Mass471.28
IUPAC NameN-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCOCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NC3CCCCC3)CC2)C1=O
InChIInChI=1S/C25H37N5O4/c1-34-17-14-26-22(31)18-29-19-30(21-10-6-3-7-11-21)25(23(29)32)12-15-28(16-13-25)24(33)27-20-8-4-2-5-9-20/h3,6-7,10-11,20H,2,4-5,8-9,12-19H2,1H3,(H,26,31)(H,27,33)
InChIKeyNUAPBCPWBBKMEF-UHFFFAOYSA-N
XLogP1.93
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 51.93
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-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 3985724) is N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is COCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)NC3CCCCC3)CC2)C1=O.
What is the InChIKey of N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is NUAPBCPWBBKMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O4/c1-34-17-14-26-22(31)18-29-19-30(21-10-6-3-7-11-21)25(23(29)32)12-15-28(16-13-25)24(33)27-20-8-4-2-5-9-20/h3,6-7,10-11,20H,2,4-5,8-9,12-19H2,1H3,(H,26,31)(H,27,33).
What are the key properties of N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3985724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).