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

C30H39N5O3 — CID 24717460

IUPACN-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC3CCCCC3)CC2)C1=O)NCCc1ccccc1
InChIInChI=1S/C30H39N5O3/c36-27(31-19-16-24-10-4-1-5-11-24)22-34-23-35(26-14-8-3-9-15-26)30(28(34)37)17-20-33(21-18-30)29(38)32-25-12-6-2-7-13-25/h1,3-5,8-11,14-15,25H,2,6-7,12-13,16-23H2,(H,31,36)(H,32,38)
InChIKeyOSORVKHUIIGCCI-UHFFFAOYSA-N
MW517.67 g/mol
LogP3.53
Rot. Bonds7

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

N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 24717460) has the molecular formula C30H39N5O3 and a molecular weight of 517.67 g/mol. Its IUPAC name is N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID24717460
Molecular FormulaC30H39N5O3
Molecular Weight517.67 g/mol
Exact Mass517.31
IUPAC NameN-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC3CCCCC3)CC2)C1=O)NCCc1ccccc1
InChIInChI=1S/C30H39N5O3/c36-27(31-19-16-24-10-4-1-5-11-24)22-34-23-35(26-14-8-3-9-15-26)30(28(34)37)17-20-33(21-18-30)29(38)32-25-12-6-2-7-13-25/h1,3-5,8-11,14-15,25H,2,6-7,12-13,16-23H2,(H,31,36)(H,32,38)
InChIKeyOSORVKHUIIGCCI-UHFFFAOYSA-N
XLogP3.53
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.67
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 24717460) is N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC3CCCCC3)CC2)C1=O)NCCc1ccccc1.
What is the InChIKey of N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is OSORVKHUIIGCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O3/c36-27(31-19-16-24-10-4-1-5-11-24)22-34-23-35(26-14-8-3-9-15-26)30(28(34)37)17-20-33(21-18-30)29(38)32-25-12-6-2-7-13-25/h1,3-5,8-11,14-15,25H,2,6-7,12-13,16-23H2,(H,31,36)(H,32,38).
What are the key properties of N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 517.67 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-oxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 24717460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).