N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C30H41N5O4 — CID 46120797

IUPACN-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1=O)N1CCOCC1
InChIInChI=1S/C30H41N5O4/c36-26(32-10-12-39-13-11-32)20-34-21-35(25-4-2-1-3-5-25)30(27(34)37)6-8-33(9-7-30)28(38)31-29-17-22-14-23(18-29)16-24(15-22)19-29/h1-5,22-24H,6-21H2,(H,31,38)
InChIKeyDGJUCUQOFJIKHX-UHFFFAOYSA-N
MW535.69 g/mol
LogP2.66
Rot. Bonds4

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

N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 46120797) has the molecular formula C30H41N5O4 and a molecular weight of 535.69 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID46120797
Molecular FormulaC30H41N5O4
Molecular Weight535.69 g/mol
Exact Mass535.32
IUPAC NameN-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1=O)N1CCOCC1
InChIInChI=1S/C30H41N5O4/c36-26(32-10-12-39-13-11-32)20-34-21-35(25-4-2-1-3-5-25)30(27(34)37)6-8-33(9-7-30)28(38)31-29-17-22-14-23(18-29)16-24(15-22)19-29/h1-5,22-24H,6-21H2,(H,31,38)
InChIKeyDGJUCUQOFJIKHX-UHFFFAOYSA-N
XLogP2.66
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 42766451
3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 24717213
N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4540647
8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3443375
8-(cyclopentanecarbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3903348
8-(3,3-dimethylbutanoyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 4163445
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3693321
3-(2-morpholin-4-yl-2-oxoethyl)-8-naphthalen-2-ylsulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3954041
8-butanoyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3411128
N-(3-chlorophenyl)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42771010
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-1-yl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 5173501
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

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 46120797) is N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1=O)N1CCOCC1.
What is the InChIKey of N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is DGJUCUQOFJIKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O4/c36-26(32-10-12-39-13-11-32)20-34-21-35(25-4-2-1-3-5-25)30(27(34)37)6-8-33(9-7-30)28(38)31-29-17-22-14-23(18-29)16-24(15-22)19-29/h1-5,22-24H,6-21H2,(H,31,38).
What are the key properties of N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 535.69 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 46120797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).