N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide

C23H35N3O2 — CID 126426677

IUPACN-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCCN(C)C(=O)CN1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1
InChIInChI=1S/C23H35N3O2/c1-5-24(4)21(27)16-25-14-12-23(17-25)11-6-13-26(22(23)28)15-19-7-9-20(10-8-19)18(2)3/h7-10,18H,5-6,11-17H2,1-4H3/t23-/m1/s1
InChIKeyXSFUZVDFEOGNJD-HSZRJFAPSA-N
MW385.55 g/mol
LogP3.10
Rot. Bonds6

About N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide

N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 126426677) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID126426677
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCCN(C)C(=O)CN1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1
InChIInChI=1S/C23H35N3O2/c1-5-24(4)21(27)16-25-14-12-23(17-25)11-6-13-26(22(23)28)15-19-7-9-20(10-8-19)18(2)3/h7-10,18H,5-6,11-17H2,1-4H3/t23-/m1/s1
InChIKeyXSFUZVDFEOGNJD-HSZRJFAPSA-N
XLogP3.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-2-(2-methylpropanoyl)-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26412240
(5R)-2-(3-methylbutanoyl)-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42392580
(5R)-2-methylsulfonyl-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25309135
2-pent-3-enoyl-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 171153354
(5S)-2-[(E)-pent-3-enoyl]-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126448713
(5R)-7-[(4-propan-2-ylphenyl)methyl]-2-(pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25309494
7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56887747
7-[(4-propan-2-ylphenyl)methyl]-2-prop-2-enylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 45222479
3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 56748642
3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 45240983
(3S)-3-hydroxy-3-[[4-(hydroxymethyl)-4-methylpiperidin-1-yl]methyl]-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95198185
(3R)-3-(azepan-1-ylmethyl)-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95214056

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide (CID 126426677) is N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide is CCN(C)C(=O)CN1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1.
What is the InChIKey of N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is XSFUZVDFEOGNJD-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-5-24(4)21(27)16-25-14-12-23(17-25)11-6-13-26(22(23)28)15-19-7-9-20(10-8-19)18(2)3/h7-10,18H,5-6,11-17H2,1-4H3/t23-/m1/s1.
What are the key properties of N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 385.55 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(5R)-6-oxo-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 126426677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).