N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide

C25H37N3O3 — CID 155988476

IUPACN-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)N(C)C2=O)C1)C1CCCCC1
InChIInChI=1S/C25H37N3O3/c1-26(20-12-7-4-8-13-20)22(30)17-28-15-9-14-25(18-28)16-21(29)23(27(2)24(25)31)19-10-5-3-6-11-19/h3,5-6,10-11,20-21,23,29H,4,7-9,12-18H2,1-2H3/t21-,23+,25-/m1/s1
InChIKeyCGFBVSJMPUYYAO-NMVJMZGASA-N
MW427.59 g/mol
LogP2.82
Rot. Bonds4

About N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide

N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide (PubChem CID 155988476) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide
PubChem CID155988476
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC NameN-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)N(C)C2=O)C1)C1CCCCC1
InChIInChI=1S/C25H37N3O3/c1-26(20-12-7-4-8-13-20)22(30)17-28-15-9-14-25(18-28)16-21(29)23(27(2)24(25)31)19-10-5-3-6-11-19/h3,5-6,10-11,20-21,23,29H,4,7-9,12-18H2,1-2H3/t21-,23+,25-/m1/s1
InChIKeyCGFBVSJMPUYYAO-NMVJMZGASA-N
XLogP2.82
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-cyclohexyl-N-methylacetamide
CID 72866271
2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide
CID 136512159
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140743
N-cyclohexyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylacetamide
CID 113249858
3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324654
(3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110160576
N-methyl-2-(2-oxoazocan-1-yl)-N-(4-phenylcyclohexyl)acetamide
CID 55761544
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
(3S,4R,6R)-2-(cyclopropylmethyl)-8-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxy-3-phenyl-2,8-diazaspiro[5.5]undecan-1-one
CID 155989234
N-cyclohexyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 16577165
2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
CID 127250136
N-cyclohexyl-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 51075621

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide (CID 155988476) is N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide is CN(C(=O)CN1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)N(C)C2=O)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide?
The InChIKey is CGFBVSJMPUYYAO-NMVJMZGASA-N. The full InChI is InChI=1S/C25H37N3O3/c1-26(20-12-7-4-8-13-20)22(30)17-28-15-9-14-25(18-28)16-21(29)23(27(2)24(25)31)19-10-5-3-6-11-19/h3,5-6,10-11,20-21,23,29H,4,7-9,12-18H2,1-2H3/t21-,23+,25-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide?
N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide has a molecular weight of 427.59 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide is sourced from PubChem (CID 155988476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).