N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C26H33N5O3 — CID 93105367

IUPACN,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESC[C@@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)N(C)C)CC2)C1=O)c1ccccc1
InChIInChI=1S/C26H33N5O3/c1-20(21-10-6-4-7-11-21)27-23(32)18-30-19-31(22-12-8-5-9-13-22)26(24(30)33)14-16-29(17-15-26)25(34)28(2)3/h4-13,20H,14-19H2,1-3H3,(H,27,32)/t20-/m1/s1
InChIKeyXRUIZWDERQKXED-HXUWFJFHSA-N
MW463.58 g/mol
LogP2.69
Rot. Bonds5

About N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 93105367) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID93105367
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC NameN,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESC[C@@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)N(C)C)CC2)C1=O)c1ccccc1
InChIInChI=1S/C26H33N5O3/c1-20(21-10-6-4-7-11-21)27-23(32)18-30-19-31(22-12-8-5-9-13-22)26(24(30)33)14-16-29(17-15-26)25(34)28(2)3/h4-13,20H,14-19H2,1-3H3,(H,27,32)/t20-/m1/s1
InChIKeyXRUIZWDERQKXED-HXUWFJFHSA-N
XLogP2.69
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3361559
N-(2-methylphenyl)-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3522833
2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(1-phenylethyl)acetamide
CID 4038360
2-[8-(adamantane-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1-phenylethyl)acetamide
CID 4009437
N-cyclohexyl-4-oxo-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 92953458
N-(4-methoxyphenyl)-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3522831
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N,N-dimethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3958901
2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 3547657
N-[(2R)-butan-2-yl]-2-[8-(2-methylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 7306751
2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 4517571
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-butan-2-ylacetamide
CID 3666781
2-[4-oxo-1-phenyl-8-(3-phenylprop-2-enoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 3888469

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 93105367) is N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is C[C@@H](NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)N(C)C)CC2)C1=O)c1ccccc1.
What is the InChIKey of N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is XRUIZWDERQKXED-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-20(21-10-6-4-7-11-21)27-23(32)18-30-19-31(22-12-8-5-9-13-22)26(24(30)33)14-16-29(17-15-26)25(34)28(2)3/h4-13,20H,14-19H2,1-3H3,(H,27,32)/t20-/m1/s1.
What are the key properties of N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 93105367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).