(5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide

C20H28ClN5O3 — CID 97439023

IUPAC(5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@]2(CC(=O)N(C)C2)C1
InChIInChI=1S/C20H28ClN5O3/c1-14(2)22-18(28)25-8-9-26(13-20(12-25)10-17(27)24(3)11-20)19(29)23-16-6-4-15(21)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,22,28)(H,23,29)/t20-/m0/s1
InChIKeyRGWHWOCXYKQQKE-FQEVSTJZSA-N
MW421.93 g/mol
LogP2.46
Rot. Bonds2

About (5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide

(5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide (PubChem CID 97439023) has the molecular formula C20H28ClN5O3 and a molecular weight of 421.93 g/mol. Its IUPAC name is (5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide.

Molecular Properties

Compound Name(5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
PubChem CID97439023
Molecular FormulaC20H28ClN5O3
Molecular Weight421.93 g/mol
Exact Mass421.19
IUPAC Name(5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@]2(CC(=O)N(C)C2)C1
InChIInChI=1S/C20H28ClN5O3/c1-14(2)22-18(28)25-8-9-26(13-20(12-25)10-17(27)24(3)11-20)19(29)23-16-6-4-15(21)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,22,28)(H,23,29)/t20-/m0/s1
InChIKeyRGWHWOCXYKQQKE-FQEVSTJZSA-N
XLogP2.46
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

10-(4-chlorophenyl)sulfonyl-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131645269
(5S)-7-acetyl-2-methyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438969
(5S)-2-methyl-7-(3-methylbutanoyl)-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 98634691
(5R)-2-methyl-3-oxo-N-propan-2-yl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360137
2-methyl-7-[(5-methylthiophen-2-yl)methyl]-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 131647679
(5R)-7-(3-methoxybenzoyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97439009
2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070068
(5S)-7-N-[(3-methoxyphenyl)methyl]-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97439026
N-(4-chlorophenyl)-3-methyl-4-oxoimidazolidine-1-carboxamide
CID 135143194
2-methyl-3-oxo-N-propan-2-yl-7-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118746301
N-(4-chlorophenyl)-1-ethyl-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 134070508
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672

Frequently Asked Questions

What is the IUPAC name of (5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The IUPAC name of (5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide (CID 97439023) is (5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide.
What is the SMILES notation for (5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The canonical SMILES for (5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide is CC(C)NC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)C[C@]2(CC(=O)N(C)C2)C1.
What is the InChIKey of (5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The InChIKey is RGWHWOCXYKQQKE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28ClN5O3/c1-14(2)22-18(28)25-8-9-26(13-20(12-25)10-17(27)24(3)11-20)19(29)23-16-6-4-15(21)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,22,28)(H,23,29)/t20-/m0/s1.
What are the key properties of (5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
(5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide has a molecular weight of 421.93 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide is sourced from PubChem (CID 97439023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).