(3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide

C27H34N4O4 — CID 140601128

IUPAC(3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide
SMILESCC(C(N)=O)[C@H](COCc1ccccn1)C(=O)N1CCC[C@@]2(C1)C(=O)N(C)C[C@H]2c1ccccc1
InChIInChI=1S/C27H34N4O4/c1-19(24(28)32)22(17-35-16-21-11-6-7-13-29-21)25(33)31-14-8-12-27(18-31)23(15-30(2)26(27)34)20-9-4-3-5-10-20/h3-7,9-11,13,19,22-23H,8,12,14-18H2,1-2H3,(H2,28,32)/t19?,22-,23-,27-/m0/s1
InChIKeyGHKZFUAWOBWKCH-YMASJJTKSA-N
MW478.59 g/mol
LogP2.20
Rot. Bonds8

About (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide

(3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide (PubChem CID 140601128) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide.

Molecular Properties

Compound Name(3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide
PubChem CID140601128
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name(3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide
SMILESCC(C(N)=O)[C@H](COCc1ccccn1)C(=O)N1CCC[C@@]2(C1)C(=O)N(C)C[C@H]2c1ccccc1
InChIInChI=1S/C27H34N4O4/c1-19(24(28)32)22(17-35-16-21-11-6-7-13-29-21)25(33)31-14-8-12-27(18-31)23(15-30(2)26(27)34)20-9-4-3-5-10-20/h3-7,9-11,13,19,22-23H,8,12,14-18H2,1-2H3,(H2,28,32)/t19?,22-,23-,27-/m0/s1
InChIKeyGHKZFUAWOBWKCH-YMASJJTKSA-N
XLogP2.20
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide with MolForge

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Launch Full Analysis

Related Compounds

9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 71060406
(2R,5R)-5-amino-5-methyl-1-[(4S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-2-(phenylmethoxymethyl)heptane-1,4-dione
CID 161495664
2-amino-3-hydroxy-2-methyl-N-[(2R)-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 71060255
2-amino-N-[(2R)-3-[(4-fluorophenyl)methoxy]-1-[(4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 71060417
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
(2R)-5-amino-5-methyl-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.6]undecan-9-yl)-2-(phenylmethoxymethyl)hexane-1,4-dione
CID 152947014
2-amino-2-methyl-N-[(E,2R)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxo-5-phenylpent-4-en-2-yl]propanamide
CID 89239216
2-methyl-7-[2-(1-methylpyrazol-3-yl)acetyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131679626
2-amino-2-methyl-N-[1-oxo-1-[(4S,5R)-1-oxo-4-phenyl-2-(2,2,2-trifluoroethyl)-2,9-diazaspiro[4.5]decan-9-yl]-3-phenylmethoxypropan-2-yl]propanamide
CID 71060571
2-amino-2-methyl-N-[(2R)-3-(1-methyl-2,3-dihydroindol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]propanamide
CID 71109248
tert-butyl N-[2-methyl-1-[[(2R)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxo-5-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 71060357
2-methyl-7-(1-methyl-1,2,4-triazole-3-carbonyl)-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131681723

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide?
The IUPAC name of (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide (CID 140601128) is (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide.
What is the SMILES notation for (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide?
The canonical SMILES for (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide is CC(C(N)=O)[C@H](COCc1ccccn1)C(=O)N1CCC[C@@]2(C1)C(=O)N(C)C[C@H]2c1ccccc1.
What is the InChIKey of (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide?
The InChIKey is GHKZFUAWOBWKCH-YMASJJTKSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-19(24(28)32)22(17-35-16-21-11-6-7-13-29-21)25(33)31-14-8-12-27(18-31)23(15-30(2)26(27)34)20-9-4-3-5-10-20/h3-7,9-11,13,19,22-23H,8,12,14-18H2,1-2H3,(H2,28,32)/t19?,22-,23-,27-/m0/s1.
What are the key properties of (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide?
(3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide has a molecular weight of 478.59 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-4-[(4S,5R)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl]-4-oxo-3-(pyridin-2-ylmethoxymethyl)butanamide is sourced from PubChem (CID 140601128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).